Chembase list of 866358 unique molecular structures

[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]azaniumyl chloride

$$$$ Data

M. F.

C10H14ClNO

Suppliers	Catalog Number
MP Biomedicals	05212054

Database	Data ID
PubChem	44135371

M. W.

199.67726

CAS

6321-11-5

Similarity

N/A

ID: 109652

5-amino-2-methylbenzene-1-sulfonic acid

$$$$ Data More

M. F.

C7H9NO3S

Suppliers	Catalog Number
MP Biomedicals	05212055
Alfa Aesar	A16599
Enamine	EN300-95355

Database	Data ID
PubChem	67054

M. W.

187.21626

CAS

118-88-7

Similarity

N/A

ID: 109653

calcium bis(2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2,5-dihydrofuran-3-olate...

$$$$ Data

M. F.

C12H14CaO12

Suppliers	Catalog Number
MP Biomedicals	05212057

Database	Data ID
PubChem	54678500

M. W.

390.31036

CAS

5743-27-1

Similarity

N/A

ID: 109654

triiodoarsane

$$$$ Data

M. F.

AsI3

Suppliers	Catalog Number
Sigma Aldrich	401145
MP Biomedicals	05212066
Alfa Aesar	41962

Database	Data ID
Wikipedia	Arsenic_triiodide
PubChem	24575

M. W.

455.63501

CAS

7784-45-4

Similarity

N/A

ID: 109655

diantimony(3+) ion trisulfate

$$$$ Data

M. F.

O12S3Sb2

Suppliers	Catalog Number
Sigma Aldrich	10783
MP Biomedicals	05212073

Database	Data ID
Wikipedia	Antimony_sulfate
PubChem	24010

M. W.

531.7078

CAS

7446-32-4

Similarity

N/A

ID: 109656

barium(2+) ion dibenzoate

$$$$ Data

M. F.

C14H10BaO4

Suppliers	Catalog Number
MP Biomedicals	05212075

Database	Data ID
PubChem	160513

M. W.

379.5538

CAS

533-00-6

Similarity

N/A

ID: 109657

barium(2+) ion dichlorate

$$$$ Data

M. F.

BaCl2O6

Suppliers	Catalog Number
MP Biomedicals	05212076

Database	Data ID
Wikipedia	Barium_chlorate
PubChem	26059

M. W.

304.2294

CAS

13477-00-4

Similarity

N/A

ID: 109658

barium(2+) ion bis(4-(phenylamino)benzene-1-sulfonate)

$$$$ Data

M. F.

C24H20BaN2O6S2

Suppliers	Catalog Number
Sigma Aldrich	D4130 33916
MP Biomedicals	05212078
Alfa Aesar	A16197

Database	Data ID
PubChem	80342

M. W.

633.8824

CAS

6211-24-1

Similarity

N/A

ID: 109659

barium

$$$$ Data

M. F.

Suppliers	Catalog Number
Sigma Aldrich	595101 403334 474711 (more...)
MP Biomedicals	05212080
Alfa Aesar	10103 14230 14454 (more...)

Database	Data ID
PubChem	5355457

M. W.

137.327

CAS

7440-39-3

Similarity

N/A

ID: 109660

barium(2+) ion bis(prop-2-enoate)

$$$$ Data

M. F.

C6H6BaO4

Suppliers	Catalog Number
MP Biomedicals	05212083

Database	Data ID
PubChem	13609154

M. W.

279.43644

CAS

17989-90-1

Similarity

N/A

ID: 109661

tribarium(2+) ion diphosphate

$$$$ Data

M. F.

Ba3O8P2

Suppliers	Catalog Number
MP Biomedicals	05212084

Database	Data ID
PubChem	165803

M. W.

601.923722

CAS

13517-08-3

Similarity

N/A

ID: 109662

barium(2+) ion selenate

$$$$ Data

M. F.

BaO4Se

Suppliers	Catalog Number
Sigma Aldrich	519189
MP Biomedicals	05212085

Database	Data ID
PubChem	134655

M. W.

280.2846

CAS

7787-41-9

Similarity

N/A

ID: 109663

nonadecan-1-amine

$$$$ Data

M. F.

C19H41N

Suppliers	Catalog Number
MP Biomedicals	05212092

Database	Data ID
PubChem	106416

M. W.

283.53554

CAS

14130-05-3

Similarity

N/A

ID: 109664

barium(2+) ion 18-sulfonatooctadecanoate

$$$$ Data

M. F.

C18H34BaO5S

Suppliers	Catalog Number
MP Biomedicals	05212094

Database	Data ID
PubChem	25021283

M. W.

499.85156

CAS

1115-17-9

Similarity

N/A

ID: 109665

barium(2+) ion oxozirconiumbis(olate)

$$$$ Data

M. F.

BaO3Zr

Suppliers	Catalog Number
Sigma Aldrich	631884 383309
MP Biomedicals	05212095

Database	Data ID
PubChem	16212444

M. W.

276.5492

CAS

12009-21-1

Similarity

N/A

ID: 109666

2,6-dichloro-4-nitrophenol

$$$$ Data More

M. F.

C6H3Cl2NO3

Suppliers	Catalog Number
Sigma Aldrich	36070
MP Biomedicals	05212096
Alfa Aesar	A10988

Database	Data ID
PubChem	12066

M. W.

207.99892

CAS

618-80-4

Similarity

N/A

ID: 109667

1,5-dichloropentane

$$$$ Data More

M. F.

C5H10Cl2

Suppliers	Catalog Number
Sigma Aldrich	D69602 36110
MP Biomedicals	05212097
Alfa Aesar	A12433

Database	Data ID
PubChem	12353

M. W.

141.0389

CAS

89711-08-0

Similarity

N/A

ID: 109668

1,3-dicyclohexylthiourea

$$$$ Data

M. F.

C13H24N2S

Suppliers	Catalog Number
MP Biomedicals	05212117
Alfa Aesar	L07785

Database	Data ID
PubChem	727200

M. W.

240.40806

CAS

1212-29-9

Similarity

N/A

ID: 109669

2-methylbenzene-1,3-diamine

$$$$ Data More

M. F.

C7H10N2

Suppliers	Catalog Number
Sigma Aldrich	148113 45921
MP Biomedicals	05212119
Alfa Aesar	L04278

Database	Data ID
PubChem	13205

M. W.

122.1677

CAS

823-40-5

Similarity

N/A

ID: 109670

tricyclo[5.2.1.0^{2,6}]deca-3,8-diene-4,8-dicarboxylic acid

$$$$ Data

M. F.

C12H12O4

Suppliers	Catalog Number
MP Biomedicals	05212123

Database	Data ID
PubChem	296887

M. W.

220.22128

CAS

37995-02-1

Similarity

N/A

ID: 109671

2-(4-ethoxyphenyl)acetaldehyde

$$$$ Data

M. F.

C10H12O2

Suppliers	Catalog Number
MP Biomedicals	05212128

Database	Data ID
PubChem	11321145

M. W.

164.20108

CAS

Similarity

N/A

ID: 109672

1,4-dibromo-2,5-dimethylbenzene

$$$$ Data More

M. F.

C8H8Br2

Suppliers	Catalog Number
Sigma Aldrich	116157
MP Biomedicals	05212132
Alfa Aesar	L01776

Database	Data ID
PubChem	66175

M. W.

263.95712

CAS

1074-24-4

Similarity

N/A

ID: 109673

octyl chloroformate

$$$$ Data

M. F.

C9H17ClO2

Suppliers	Catalog Number
Sigma Aldrich	252808
MP Biomedicals	05212141

Database	Data ID
PubChem	81956

M. W.

192.68308

CAS

7452-59-7

Similarity

N/A

ID: 109674

cycloheptane

$$$$ Data

M. F.

C7H14

Suppliers	Catalog Number
Sigma Aldrich	C98403 28810
MP Biomedicals	05212146
Alfa Aesar	B22902

Database	Data ID
Wikipedia	Cycloheptane
PubChem	9265

M. W.

98.18606

CAS

291-64-5

Similarity

N/A

ID: 109675

1-ethyl-3-methylbenzene

$$$$ Data

M. F.

C9H12

Suppliers	Catalog Number
Sigma Aldrich	E49606 04942
MP Biomedicals	05212152
Alfa Aesar	L18788

Database	Data ID
PubChem	12100

M. W.

120.19158

CAS

620-14-4

Similarity

N/A

ID: 109676

3-methylpent-1-yn-3-ol

$$$$ Data

M. F.

C6H10O

Suppliers	Catalog Number
Sigma Aldrich	137561 68570
MP Biomedicals	05212157

Database	Data ID
PubChem	6494

M. W.

98.143

CAS

77-75-8

Similarity

N/A

ID: 109677

europium(3+) ion triacetate hydrate

$$$$ Data

M. F.

C6H11EuO7

Suppliers	Catalog Number
MP Biomedicals	05212158
Alfa Aesar	42878 A18069 44056

Database	Data ID
PubChem	24884369

M. W.

347.11134

CAS

1184-63-0

Similarity

N/A

ID: 109678

2-methylhexane

$$$$ Data

M. F.

C7H16

Suppliers	Catalog Number
Sigma Aldrich	M49704 67360
MP Biomedicals	05212161

Database	Data ID
Wikipedia	2-Methylhexane
PubChem	11582

M. W.

100.20194

CAS

591-76-4

Similarity

N/A

ID: 109679

ethyl (2E)-3-(4-nitrophenyl)prop-2-enoate

$$$$ Data More

M. F.

C11H11NO4

Suppliers	Catalog Number
Sigma Aldrich	139300
MP Biomedicals	05212163
Alfa Aesar	A13196

Database	Data ID
PubChem	1268038

M. W.

221.20934

CAS

953-26-4

Similarity

N/A

ID: 109680

4-ethyloct-1-yn-3-ol

$$$$ Data

M. F.

C10H18O

Suppliers	Catalog Number
MP Biomedicals	05212170

Database	Data ID
PubChem	93012

M. W.

154.24932

CAS

5877-42-9

Similarity

N/A

ID: 109681

zinc(2+) ion bis(4-{bis[4-(diethylamino)phenyl]methylidene}-N,N-diethylcyclohexa...

$$$$ Data

M. F.

C62H84Cl4N6Zn

Suppliers	Catalog Number
MP Biomedicals	05212173

Database	Data ID
PubChem	103225

M. W.

1120.56256

CAS

65121-93-9

Similarity

N/A

ID: 109682

sodium 4-[2-(2,4-dihydroxyphenyl)diazen-1-yl]benzene-1-sulfonate

$$$$ Data

M. F.

C12H9N2NaO5S

Suppliers	Catalog Number
Sigma Aldrich	32663
MP Biomedicals	05212180
Alfa Aesar	42772

Database	Data ID
PubChem	9566342

M. W.

316.26503

CAS

547-57-9

Similarity

N/A

ID: 109683

ethyl but-2-enoate

$$$$ Data More

M. F.

C6H10O2

Suppliers	Catalog Number
Sigma Aldrich	W348600 140996 167940 (more...)
MP Biomedicals	05215914 05212189
Alfa Aesar	A12529

Database	Data ID
PubChem	429065

M. W.

114.1424

CAS

623-70-1

Similarity

N/A

ID: 109684

3,4,5-trihydroxy-N-(2-hydroxyethyl)benzamide

$$$$ Data

M. F.

C9H11NO5

Suppliers	Catalog Number
MP Biomedicals	05213601 05212193

Database	Data ID
PubChem	3442933

M. W.

213.18734

CAS

Similarity

N/A

ID: 109685

N,N-didodecylaniline

$$$$ Data

M. F.

C30H55N

Suppliers	Catalog Number
MP Biomedicals	05212197

Database	Data ID
PubChem	4671051

M. W.

429.7644

CAS

4960-25-2

Similarity

N/A

ID: 109686

dicobalt(2+) ion 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)ami...

$$$$ Data

M. F.

C10H12Co2N2O8

Suppliers	Catalog Number
MP Biomedicals	05212205

Database	Data ID
Wikipedia	Dicobalt_edetate
PubChem	71942

M. W.

406.07728

CAS

24704-41-4

Similarity

N/A

ID: 109687

(2S)-2-(2-chloroacetamido)-3-(4-hydroxyphenyl)propanoic acid

$$$$ Data

M. F.

C11H12ClNO4

Suppliers	Catalog Number
Sigma Aldrich	C1878 851159
MP Biomedicals	05212209

Database	Data ID
PubChem	2724332

M. W.

257.67028

CAS

1145-56-8

Similarity

N/A

ID: 109688

1-chlorohexadecane

$$$$ Data More

M. F.

C16H33Cl

Suppliers	Catalog Number
Sigma Aldrich	245623 24750
MP Biomedicals	05212211
Alfa Aesar	B23406

Database	Data ID
PubChem	20993

M. W.

260.88622

CAS

4860-03-1

Similarity

N/A

ID: 109689

disodium 4-hydroxy-3-[2-(4-{4-[2-(1-hydroxy-4-sulfonatonaphthalen-2-yl)diazen-1-...

$$$$ Data

M. F.

C34H24N4Na2O10S2

Suppliers	Catalog Number
MP Biomedicals	05212222

Database	Data ID
PubChem	6506409

M. W.

758.6847

CAS

2429-71-2

Similarity

N/A

ID: 109690

tribromocerium

$$$$ Data

M. F.

Br3Ce

Suppliers	Catalog Number
Sigma Aldrich	563226 400998 449725
MP Biomedicals	05212227

Database	Data ID
PubChem	292780

M. W.

379.828

CAS

14457-87-5

Similarity

N/A

ID: 109691

disodium 6-methyl-2-(4-{2-[4-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)phenyl]...

$$$$ Data

M. F.

C28H18N4Na2O6S4

Suppliers	Catalog Number
MP Biomedicals	05212229

Database	Data ID
PubChem	9961515

M. W.

680.70526

CAS

14500-83-5

Similarity

N/A

ID: 109692

2-chloro-9H-thioxanthen-9-one

$$$$ Data More

M. F.

C13H7ClOS

Suppliers	Catalog Number
Sigma Aldrich	C72404
MP Biomedicals	05212232
Alfa Aesar	A18131

Database	Data ID
PubChem	618848

M. W.

246.71208

CAS

86-39-5

Similarity

N/A

ID: 109693

5-chloro-1,10-phenanthroline

$$$$ Data

M. F.

C12H7ClN2

Suppliers	Catalog Number
Sigma Aldrich	301779
MP Biomedicals	05212237
Alfa Aesar	31180

Database	Data ID
PubChem	77865

M. W.

214.65038

CAS

4199-89-7

Similarity

N/A

ID: 109694

hexadecyl 3,4,5-trihydroxybenzoate

$$$$ Data

M. F.

C23H38O5

Suppliers	Catalog Number
MP Biomedicals	05212240

Database	Data ID
PubChem	78729

M. W.

394.54482

CAS

5026-65-3

Similarity

N/A

ID: 109695

magnesium(2+) ion ammonium phosphate

$$$$ Data

M. F.

H4MgNO4P

Suppliers	Catalog Number
MP Biomedicals	05212243
Alfa Aesar	44053

Database	Data ID
PubChem	178727

M. W.

137.314821

CAS

7785-21-9

Similarity

N/A

ID: 109696

$l^{2}-lanthanum(2+) ion disilyne

$$$$ Data

M. F.

LaSi2

Suppliers	Catalog Number
MP Biomedicals	05212244

Database	Data ID
PubChem	0

M. W.

195.0765

CAS

12056-90-5

Similarity

N/A

ID: 109697

1,4-dichloro-2,5-dimethylbenzene

$$$$ Data More

M. F.

C8H8Cl2

Suppliers	Catalog Number
Sigma Aldrich	D76404
MP Biomedicals	05212253
Alfa Aesar	B21344

Database	Data ID
PubChem	70755

M. W.

175.05512

CAS

1124-05-6

Similarity

N/A

ID: 109698

magnesium(2+) ion dioxoborinate

$$$$ Data

M. F.

B2H2MgO4

Suppliers	Catalog Number
MP Biomedicals	05212254

Database	Data ID
PubChem	13710655

M. W.

111.94048

CAS

13703-82-7

Similarity

N/A

ID: 109699

trimagnesium(2+) ion bis(2-hydroxypropane-1,2,3-tricarboxylate)

$$$$ Data

M. F.

C12H10Mg3O14

Suppliers	Catalog Number
MP Biomedicals	05212256
Alfa Aesar	41921

Database	Data ID
PubChem	6099959

M. W.

451.1144

CAS

3344-18-1

Similarity

N/A

ID: 109700

3-ethylheptan-2-ol

$$$$ Data

M. F.

C9H20O

Suppliers	Catalog Number
MP Biomedicals	05212260
Alfa Aesar	B20652

Database	Data ID
PubChem	542286

M. W.

144.2545

CAS

19780-39-3

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified