Chembase list of 866358 unique molecular structures

4-[(6-chloro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]-4-methylmorpholin-4-ium io...

$$$$ Data

M. F.

C14H19ClINO3

Suppliers	Catalog Number
Apollo Scientific	OR23585

Database	Data ID
PubChem	2776789

M. W.

411.66303

CAS

Similarity

N/A

ID: 80952

1-[(6-chloro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]-1-methylpyrrolidin-1-ium i...

$$$$ Data

M. F.

C14H19ClINO2

Suppliers	Catalog Number
Apollo Scientific	OR23586

Database	Data ID
PubChem	2776792

M. W.

395.66363

CAS

Similarity

N/A

ID: 80953

2-chloro-N-(4-methylpyridin-2-yl)acetamide

$$$$ Data

M. F.

C8H9ClN2O

Suppliers	Catalog Number
Apollo Scientific	OR23589

Database	Data ID
PubChem	2776797

M. W.

184.62286

CAS

Similarity

N/A

ID: 80954

1,10-phenanthroline hydrate

$$$$ Data More

M. F.

C12H10N2O

Suppliers	Catalog Number
Sigma Aldrich	P1294 P12804 77500 (more...)
MP Biomedicals	02152553 02150147 05216513
Alfa Aesar	A14140

Database	Data ID
PubChem	21226

M. W.

198.2206

CAS

5144-89-8

Similarity

N/A

ID: 80955

methyltriphenylphosphanium iodide

$$$$ Data More

M. F.

C19H18IP

Suppliers	Catalog Number
Sigma Aldrich	245054
MP Biomedicals	05221210
Alfa Aesar	A15644

Database	Data ID
PubChem	638159

M. W.

404.224451

CAS

2065-66-9

Similarity

N/A

ID: 80956

4-cyano-1-methylpyridin-1-ium iodide

$$$$ Data

M. F.

C7H7IN2

Suppliers	Catalog Number
Apollo Scientific	OR23591

Database	Data ID
PubChem	2776798

M. W.

246.04835

CAS

Similarity

N/A

ID: 80957

[(pentamethylphenyl)methyl]tripropylphosphanium chloride

$$$$ Data

M. F.

C21H38ClP

Suppliers	Catalog Number
Apollo Scientific	OR23592

Database	Data ID
PubChem	2776800

M. W.

356.953181

CAS

Similarity

N/A

ID: 80958

[(2,6-dichlorophenyl)methyl]tripropylphosphanium chloride

$$$$ Data

M. F.

C16H26Cl3P

Suppliers	Catalog Number
Apollo Scientific	OR23593

Database	Data ID
PubChem	2776802

M. W.

355.710401

CAS

Similarity

N/A

ID: 80959

{[(2,5-dichlorophenyl)imino](methylsulfanyl)methyl}tripropylphosphanium iodide

$$$$ Data

M. F.

C17H27Cl2INPS

Suppliers	Catalog Number
Apollo Scientific	OR23594

Database	Data ID
PubChem	2776804

M. W.

506.252211

CAS

Similarity

N/A

ID: 80960

3-(2-hydroxyphenyl)-2,3,5,6,7,8-hexahydro-1,2,4-benzotriazin-4-ium-4-olate

$$$$ Data

M. F.

C13H15N3O2

Suppliers	Catalog Number
Apollo Scientific	OR23595

Database	Data ID
PubChem	328921

M. W.

245.2771

CAS

Similarity

N/A

ID: 80961

[1-(2-hydroxyphenyl)ethylidene]amino 4-chloro-3-nitrobenzoate

$$$$ Data

M. F.

C15H11ClN2O5

Suppliers	Catalog Number
Apollo Scientific	OR23596

Database	Data ID
PubChem	5708734

M. W.

334.71124

CAS

Similarity

N/A

ID: 80962

6-amino-7-ethyl-4-(ethylamino)-3-{[(2-hydroxyphenyl)methylidene]amino}-1H-pyrazo...

$$$$ Data

M. F.

C17H21ClN6O

Suppliers	Catalog Number
Apollo Scientific	OR23599

Database	Data ID
PubChem	5708736

M. W.

360.84124

CAS

Similarity

N/A

ID: 80963

1,10-phenanthroline hydrate hydrochloride

$$$$ Data More

M. F.

C12H11ClN2O

Suppliers	Catalog Number
Sigma Aldrich	77510 P13002 31043 (more...)
MP Biomedicals	05216553
Alfa Aesar	A16254

Database	Data ID
PubChem	2723715

M. W.

234.68154

CAS

18851-33-7

Similarity

N/A

ID: 80964

3-(5-chloro-2-hydroxyphenyl)-3-methyl-2,3,5,6,7,8-hexahydro-1,2,4-benzotriazin-4...

$$$$ Data

M. F.

C14H16ClN3O2

Suppliers	Catalog Number
Apollo Scientific	OR23600

Database	Data ID
PubChem	2776813

M. W.

293.74874

CAS

Similarity

N/A

ID: 80965

4-(1H-pyrrol-1-ylmethyl)pyridine

$$$$ Data

M. F.

C10H10N2

Suppliers	Catalog Number
Apollo Scientific	OR23601

Database	Data ID
PubChem	2776814

M. W.

158.1998

CAS

Similarity

N/A

ID: 80966

2-chloro-N-(2-{[(6-chloro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}pheny...

$$$$ Data

M. F.

C17H15Cl2NO3S

Suppliers	Catalog Number
Apollo Scientific	OR23602

Database	Data ID
PubChem	331159

M. W.

384.2769

CAS

Similarity

N/A

ID: 80967

3-(1H-pyrrol-1-yl)pyridine

$$$$ Data More

M. F.

C9H8N2

Suppliers	Catalog Number
MP Biomedicals	05221519
Maybridge	CD03810
Apollo Scientific	OR23603

Database	Data ID
PubChem	736556

M. W.

144.17322

CAS

72692-99-0

Similarity

N/A

ID: 80968

2-[N-(7-amino-1,1,3,3,6-pentamethyl-2,3-dihydro-1H-inden-5-yl)carboximidoyl]phen...

$$$$ Data

M. F.

C21H26N2O

Suppliers	Catalog Number
Apollo Scientific	OR23604

Database	Data ID
PubChem	5708738

M. W.

322.44394

CAS

Similarity

N/A

ID: 80969

N'-acetyl-2-cyanoacetohydrazide

$$$$ Data

M. F.

C5H7N3O2

Suppliers	Catalog Number
Apollo Scientific	OR23605

Database	Data ID
PubChem	231420

M. W.

141.12798

CAS

Similarity

N/A

ID: 80970

3-(1H-pyrrol-1-ylmethyl)pyridine

$$$$ Data

M. F.

C10H10N2

Suppliers	Catalog Number
Sigma Aldrich	197033
Maybridge	CD04045
Apollo Scientific	OR23606

Database	Data ID
PubChem	697607

M. W.

158.1998

CAS

80866-95-1

Similarity

N/A

ID: 80971

1-{[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl}pyridin-1-ium chlori...

$$$$ Data

M. F.

C13H15ClN2O2

Suppliers	Catalog Number
Apollo Scientific	OR23607

Database	Data ID
PubChem	2776819

M. W.

266.7234

CAS

Similarity

N/A

ID: 80972

N'-(2-chloroacetyl)-2-(dichloromethyl)cyclopent-3-ene-1-carbohydrazide

$$$$ Data

M. F.

C9H11Cl3N2O2

Suppliers	Catalog Number
Apollo Scientific	OR23608

Database	Data ID
PubChem	2776821

M. W.

285.55484

CAS

Similarity

N/A

ID: 80973

2-(1H-pyrrol-1-yl)pyridine

$$$$ Data

M. F.

C9H8N2

Suppliers	Catalog Number
Maybridge	CD04173
Apollo Scientific	OR23609
InterBioScreen	BB_SC-3176

Database	Data ID
PubChem	736557

M. W.

144.17322

CAS

50966-74-0

Similarity

N/A

ID: 80974

[(tert-butoxy)(dimethylamino)methyl]dimethylamine

$$$$ Data

M. F.

C9H22N2O

Suppliers	Catalog Number
Sigma Aldrich	20425 384216
Apollo Scientific	OR2361
A&J Pharmtech	AJA-O6505

Database	Data ID
PubChem	79885

M. W.

174.28378

CAS

5815-08-7

Similarity

N/A

ID: 80975

1,2,3,4-tetramethyl-5,6-dinitrobenzene

$$$$ Data

M. F.

C10H12N2O4

Suppliers	Catalog Number
Apollo Scientific	OR23612

Database	Data ID
PubChem	300042

M. W.

224.21328

CAS

18801-63-3

Similarity

N/A

ID: 80976

tetramethylbenzene-1,2-diamine

$$$$ Data

M. F.

C10H16N2

Suppliers	Catalog Number
Apollo Scientific	OR23614

Database	Data ID
PubChem	2776822

M. W.

164.24744

CAS

67130-14-7

Similarity

N/A

ID: 80977

1,2,3,4,5-pentamethyl-6-(methylsulfanyl)benzene

$$$$ Data

M. F.

C12H18S

Suppliers	Catalog Number
Apollo Scientific	OR23615

Database	Data ID
PubChem	2776823

M. W.

194.33632

CAS

Similarity

N/A

ID: 80978

1-chloro-4-[1-(4-chlorophenyl)-1-oxo-1$l^{5},2-diazen-2-yl]benzene

$$$$ Data

M. F.

C12H8Cl2N2O

Suppliers	Catalog Number
Apollo Scientific	OR23616

Database	Data ID
PubChem	11960

M. W.

267.11072

CAS

Similarity

N/A

ID: 80979

N-methyloct-2-ynehydrazide

$$$$ Data

M. F.

C9H16N2O

Suppliers	Catalog Number
Apollo Scientific	OR23617

Database	Data ID
PubChem	2776825

M. W.

168.23614

CAS

Similarity

N/A

ID: 80980

1-(2-methylbut-3-yn-2-yl)-1H-pyrrole

$$$$ Data

M. F.

C9H11N

Suppliers	Catalog Number
Apollo Scientific	OR23618

Database	Data ID
PubChem	2776826

M. W.

133.19034

CAS

Similarity

N/A

ID: 80981

5-[(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)imino]-1,3-diazinane-2,...

$$$$ Data

M. F.

C8H8N6O6

Suppliers	Catalog Number
Sigma Aldrich	33414 222461
Apollo Scientific	OR2362

Database	Data ID
PubChem	14453351

M. W.

284.18572

CAS

3051-09-0

Similarity

N/A

ID: 80982

tris(4-methoxyphenyl)(methyl)phosphanium bromide

$$$$ Data

M. F.

C22H24BrO3P

Suppliers	Catalog Number
Apollo Scientific	OR23620

Database	Data ID
PubChem	2776827

M. W.

447.301921

CAS

Similarity

N/A

ID: 80983

trichloroprop-2-enoic acid

$$$$ Data

M. F.

C3HCl3O2

Suppliers	Catalog Number
Alfa Aesar	A12299
Maybridge	CD04617
Apollo Scientific	OR23621

Database	Data ID
PubChem	16742

M. W.

175.39784

CAS

2257-35-4

Similarity

N/A

ID: 80984

1-phenyl-3-(trichloroethenyl)urea

$$$$ Data

M. F.

C9H7Cl3N2O

Suppliers	Catalog Number
Apollo Scientific	OR23622

Database	Data ID
PubChem	2776829

M. W.

265.52368

CAS

Similarity

N/A

ID: 80985

trichloroprop-2-enamide

$$$$ Data

M. F.

C3H2Cl3NO

Suppliers	Catalog Number
Apollo Scientific	OR23623

Database	Data ID
PubChem	77488

M. W.

174.41308

CAS

Similarity

N/A

ID: 80986

2,3,3-trichloro-N-(4-chlorophenyl)prop-2-enamide

$$$$ Data

M. F.

C9H5Cl4NO

Suppliers	Catalog Number
Apollo Scientific	OR23624

Database	Data ID
PubChem	593920

M. W.

284.9541

CAS

Similarity

N/A

ID: 80987

1-(4-chlorophenyl)-3-(trichloroethenyl)urea

$$$$ Data

M. F.

C9H6Cl4N2O

Suppliers	Catalog Number
Apollo Scientific	OR23625

Database	Data ID
PubChem	2776831

M. W.

299.96874

CAS

Similarity

N/A

ID: 80988

1-[2-(1H-pyrrol-1-yl)phenyl]-3-(trichloroethenyl)urea

$$$$ Data

M. F.

C13H10Cl3N3O

Suppliers	Catalog Number
Apollo Scientific	OR23626

Database	Data ID
PubChem	2776832

M. W.

330.597

CAS

Similarity

N/A

ID: 80989

3-(trichloroethenyl)-1-(2,4,6-trichlorophenyl)urea

$$$$ Data

M. F.

C9H4Cl6N2O

Suppliers	Catalog Number
Apollo Scientific	OR23627

Database	Data ID
PubChem	2776833

M. W.

368.85886

CAS

Similarity

N/A

ID: 80990

1-(4-nitrophenyl)-3-(trichloroethenyl)urea

$$$$ Data

M. F.

C9H6Cl3N3O3

Suppliers	Catalog Number
Apollo Scientific	OR23628

Database	Data ID
PubChem	2776834

M. W.

310.52124

CAS

Similarity

N/A

ID: 80991

[4-(propan-2-yl)phenyl]methyl N-(trichloroethenyl)carbamate

$$$$ Data

M. F.

C13H14Cl3NO2

Suppliers	Catalog Number
Apollo Scientific	OR23629

Database	Data ID
PubChem	2776835

M. W.

322.61476

CAS

Similarity

N/A

ID: 80992

4-chloro-3-nitrophenol

$$$$ Data More

M. F.

C6H4ClNO3

Suppliers	Catalog Number
Sigma Aldrich	361127 25585
Alfa Aesar	L10108
Apollo Scientific	OR2363

Database	Data ID
PubChem	69127

M. W.

173.55386

CAS

610-78-6

Similarity

N/A

ID: 80993

(4-chloro-3-nitrophenyl)methyl N-(trichloroethenyl)carbamate

$$$$ Data

M. F.

C10H6Cl4N2O4

Suppliers	Catalog Number
Apollo Scientific	OR23630

Database	Data ID
PubChem	2776836

M. W.

359.97764

CAS

Similarity

N/A

ID: 80994

(pentamethylphenyl)methyl N-(trichloroethenyl)carbamate

$$$$ Data

M. F.

C15H18Cl3NO2

Suppliers	Catalog Number
Apollo Scientific	OR23631

Database	Data ID
PubChem	2776837

M. W.

350.66792

CAS

Similarity

N/A

ID: 80995

(2,6-dimethoxyphenyl)methanol

$$$$ Data More

M. F.

C9H12O3

Suppliers	Catalog Number
MP Biomedicals	05221385
Maybridge	CD04716
Apollo Scientific	OR23632

Database	Data ID
PubChem	2776839

M. W.

168.18978

CAS

16700-55-3

Similarity

N/A

ID: 80996

2,3,3-trichloro-N-(3-hydroxyphenyl)prop-2-enamide

$$$$ Data

M. F.

C9H6Cl3NO2

Suppliers	Catalog Number
Apollo Scientific	OR23633

Database	Data ID
PubChem	334426

M. W.

266.50844

CAS

Similarity

N/A

ID: 80997

(4-chloro-3-nitrophenyl)methyl N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]ca...

$$$$ Data

M. F.

C18H13Cl2N3O5

Suppliers	Catalog Number
Apollo Scientific	OR23634

Database	Data ID
PubChem	2776840

M. W.

422.21892

CAS

Similarity

N/A

ID: 80998

2-(1H-pyrrol-1-ylmethyl)pyridine

$$$$ Data

M. F.

C10H10N2

Suppliers	Catalog Number
Maybridge	CD04786
Apollo Scientific	OR23635
InterBioScreen	BB_SC-3175

Database	Data ID
PubChem	736206

M. W.

158.1998

CAS

78210-51-2

Similarity

N/A

ID: 80999

ethyl 2-chloro-4-methyl-6-(pyrrolidin-1-yl)benzoate

$$$$ Data

M. F.

C14H18ClNO2

Suppliers	Catalog Number
Maybridge	CD04805
Apollo Scientific	OR23636

Database	Data ID
PubChem	2776841

M. W.

267.75122

CAS

59686-39-4

Similarity

N/A

ID: 81000

2,2,2-trichloro-N,N-bis(prop-2-en-1-yl)acetamide

$$$$ Data

M. F.

C8H10Cl3NO

Suppliers	Catalog Number
Apollo Scientific	OR23637

Database	Data ID
PubChem	736559

M. W.

242.5301

CAS

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