Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

CHAgO2

Suppliers	Catalog Number
MP Biomedicals	05218561

Database	Data ID
PubChem	11970367

M. W.

152.88564

CAS

Similarity

N/A

ID: 111302

(2E,4E)-undeca-2,4-dienal

$$$$ Data More

M. F.

C11H18O

Suppliers	Catalog Number
Sigma Aldrich	W342203
MP Biomedicals	05218562
Alfa Aesar	A13419

Database	Data ID
PubChem	5367531

M. W.

166.26002

CAS

30361-29-6

Similarity

N/A

ID: 111303

(2E)-undec-2-enal

$$$$ Data

M. F.

C11H20O

Suppliers	Catalog Number
Sigma Aldrich	W342300
MP Biomedicals	05218570
Alfa Aesar	L06437

Database	Data ID
PubChem	5283356

M. W.

168.2759

CAS

53448-07-0

Similarity

N/A

ID: 111304

disodium 2-hydroxy-5-(2-{4-[2-(4-sulfonatophenyl)diazen-1-yl]phenyl}diazen-1-yl)...

$$$$ Data

M. F.

C19H12N4Na2O6S

Suppliers	Catalog Number
MP Biomedicals	05218571

Database	Data ID
PubChem	5483135

M. W.

470.36632

CAS

Similarity

N/A

ID: 111305

6-heptadecyl-1,3,5-triazine-2,4-diamine

$$$$ Data

M. F.

C20H39N5

Suppliers	Catalog Number
MP Biomedicals	05224599 05218584

Database	Data ID
PubChem	17329

M. W.

349.55716

CAS

2533-20-2

Similarity

N/A

ID: 111306

2-(N-methyloctadecanamido)acetic acid

$$$$ Data

M. F.

C21H41NO3

Suppliers	Catalog Number
MP Biomedicals	05218585

Database	Data ID
PubChem	67339

M. W.

355.55514

CAS

142-48-3

Similarity

N/A

ID: 111307

octadecyl 12-hydroxyoctadecanoate

$$$$ Data

M. F.

C36H72O3

Suppliers	Catalog Number
MP Biomedicals	05218586

Database	Data ID
PubChem	169819

M. W.

552.95508

CAS

Similarity

N/A

ID: 111308

trimethyl(octadecyl)azanium chloride

$$$$ Data

M. F.

C21H46ClN

Suppliers	Catalog Number
Sigma Aldrich	53112
MP Biomedicals	05218587
Bide Pharmatech	BD17554

Database	Data ID
PubChem	8155

M. W.

348.04964

CAS

112-03-8

Similarity

N/A

ID: 111309

tin(2+) ion dioctanoate

$$$$ Data

M. F.

C16H30O4Sn

Suppliers	Catalog Number
MP Biomedicals	05218589

Database	Data ID
PubChem	159632

M. W.

405.108

CAS

301-10-0

Similarity

N/A

ID: 111310

strontium

$$$$ Data

M. F.

Suppliers	Catalog Number
Sigma Aldrich	69042 460346 441899 (more...)
MP Biomedicals	05218590
Alfa Aesar	14382 42929 35789 (more...)

Database	Data ID
PubChem	5359327

M. W.

87.62

CAS

7440-24-6

Similarity

N/A

ID: 111311

strontium(2+) ion dioxochromiumbis(olate)

$$$$ Data

M. F.

CrO4Sr

Suppliers	Catalog Number
MP Biomedicals	05218592
Alfa Aesar	89026

Database	Data ID
PubChem	24599

M. W.

203.6137

CAS

7789-06-2

Similarity

N/A

ID: 111312

disodium 6-hydroxy-5-[2-(4-sulfonatophenyl)diazen-1-yl]naphthalene-2-sulfonate

$$$$ Data

M. F.

C16H10N2Na2O7S2

Suppliers	Catalog Number
Sigma Aldrich	465224 68775
MP Biomedicals	05218594
TRC	S825000

Database	Data ID
Wikipedia	Sunset_Yellow_FCF
PubChem	6093232

M. W.

452.36934

CAS

1325-37-7

Similarity

N/A

ID: 111313

2,3-dihydroxy-4-(octadecyloxy)-4-oxobutanoic acid

$$$$ Data

M. F.

C22H42O6

Suppliers	Catalog Number
MP Biomedicals	05218595

Database	Data ID
PubChem	19989378

M. W.

402.56528

CAS

Similarity

N/A

ID: 111314

undec-1-en-1-yl acetate

$$$$ Data

M. F.

C13H24O2

Suppliers	Catalog Number
MP Biomedicals	05218600

Database	Data ID
PubChem	14611707

M. W.

212.32846

CAS

Similarity

N/A

ID: 111315

octadecanoyl octadecanoate

$$$$ Data

M. F.

C36H70O3

Suppliers	Catalog Number
Sigma Aldrich	S5128 286516 85710
MP Biomedicals	05218602

Database	Data ID
PubChem	69485

M. W.

550.9392

CAS

638-08-4

Similarity

N/A

ID: 111316

undec-2-en-1-yl acetate

$$$$ Data

M. F.

C13H24O2

Suppliers	Catalog Number
MP Biomedicals	05218603

Database	Data ID
PubChem	5363202

M. W.

212.32846

CAS

68480-27-3

Similarity

N/A

ID: 111317

diterbium(3+) ion tricarbonate

$$$$ Data

M. F.

C3O9Tb2

Suppliers	Catalog Number
MP Biomedicals	05218604
Alfa Aesar	14599

Database	Data ID
PubChem	165401

M. W.

497.87738

CAS

100587-96-0

Similarity

N/A

ID: 111318

bis($l^{2}-tin(2+) ion) (phosphonatooxy)phosphonate

$$$$ Data More

M. F.

O7P2Sn2

Suppliers	Catalog Number
Sigma Aldrich	344966
MP Biomedicals	05218612
Alfa Aesar	89785

Database	Data ID
PubChem	66379

M. W.

411.345322

CAS

15578-26-4

Similarity

N/A

ID: 111319

octadecyl docosanoate

$$$$ Data

M. F.

C40H80O2

Suppliers	Catalog Number
Sigma Aldrich	B7884
MP Biomedicals	05218614

Database	Data ID
PubChem	90435

M. W.

593.062

CAS

24271-12-3

Similarity

N/A

ID: 111320

1,2-dioxa-3-strontacyclopropane

$$$$ Data

M. F.

O2Sr

Suppliers	Catalog Number
Sigma Aldrich	415200
MP Biomedicals	05218616

Database	Data ID
PubChem	14807

M. W.

119.6188

CAS

1314-18-7

Similarity

N/A

ID: 111321

tin(2+) ion oxalate

$$$$ Data

M. F.

C2O4Sn

Suppliers	Catalog Number
MP Biomedicals	05218618
Alfa Aesar	A11689 14113
TRC	T444090

Database	Data ID
PubChem	13149

M. W.

206.72

CAS

17480-26-1

Similarity

N/A

ID: 111322

4-sulfobenzene-1,2-dicarboxylic acid

$$$$ Data

M. F.

C8H6O7S

Suppliers	Catalog Number
Sigma Aldrich	283266
MP Biomedicals	05218623
Alfa Aesar	A16318

Database	Data ID
PubChem	6962

M. W.

246.19404

CAS

89-08-7

Similarity

N/A

ID: 111323

diiodostrontium

$$$$ Data

M. F.

I2Sr

Suppliers	Catalog Number
Sigma Aldrich	400696 466336
MP Biomedicals	05218624

Database	Data ID
PubChem	25304

M. W.

341.42894

CAS

10476-86-5

Similarity

N/A

ID: 111324

(tetrahydroxyhydroxytellanyl)ol

$$$$ Data

M. F.

H6O6Te

Suppliers	Catalog Number
Sigma Aldrich	308463 86375
MP Biomedicals	05218630

Database	Data ID
Wikipedia	Telluric_acid
PubChem	62686

M. W.

229.64404

CAS

7803-68-1

Similarity

N/A

ID: 111325

terbium(3+) ion triacetate hydrate

$$$$ Data

M. F.

C6H11O7Tb

Suppliers	Catalog Number
MP Biomedicals	05218632
Alfa Aesar	14600 A17388

Database	Data ID
PubChem	19013755

M. W.

354.07268

CAS

16922-07-9

Similarity

N/A

ID: 111326

(oxo-$l^{4}-tellanyl)one

$$$$ Data

M. F.

O2Te

Suppliers	Catalog Number
Sigma Aldrich	86370 243450 435902 (more...)
MP Biomedicals	05218634
Alfa Aesar	10608 10882 87813 (more...)

Database	Data ID
Wikipedia	Tellurium_dioxide
PubChem	62638

M. W.

159.5988

CAS

7446-07-3

Similarity

N/A

ID: 111327

trifluoroterbium

$$$$ Data

M. F.

F3Tb

Suppliers	Catalog Number
Sigma Aldrich	432067
MP Biomedicals	05218637

Database	Data ID
PubChem	83673

M. W.

215.9205496

CAS

13708-63-9

Similarity

N/A

ID: 111328

dibromotellane

$$$$ Data

M. F.

Br2Te

Suppliers	Catalog Number
MP Biomedicals	05218647

Database	Data ID
PubChem	12120249

M. W.

287.408

CAS

Similarity

N/A

ID: 111329

tetrachlorobenzene-1,4-diol

$$$$ Data

M. F.

C6H2Cl4O2

Suppliers	Catalog Number
Sigma Aldrich	MET690A
MP Biomedicals	05218651

Database	Data ID
PubChem	66603

M. W.

247.89088

CAS

87-87-6

Similarity

N/A

ID: 111330

2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)methyl]phenol

$$$$ Data

M. F.

C13H8Cl4O2

Suppliers	Catalog Number
MP Biomedicals	05218656

Database	Data ID
PubChem	16023

M. W.

338.01342

CAS

Similarity

N/A

ID: 111331

tantalum(2+) ion disilyne

$$$$ Data

M. F.

Si2Ta

Suppliers	Catalog Number
Sigma Aldrich	372706
MP Biomedicals	05218660

Database	Data ID
PubChem	0

M. W.

237.1189

CAS

12039-79-1

Similarity

N/A

ID: 111332

{5-[(acetyloxy)mercurio]-2-amino-3-methylphenyl}mercurio acetate

$$$$ Data

M. F.

C11H13Hg2NO4

Suppliers	Catalog Number
MP Biomedicals	05218670

Database	Data ID
PubChem	44135924

M. W.

624.40522

CAS

Similarity

N/A

ID: 111333

{4-[(2,4-diamino-5-methylphenyl)imino]cyclohexa-2,5-dien-1-ylidene}dimethylimini...

$$$$ Data

M. F.

C15H19N4

Suppliers	Catalog Number
MP Biomedicals	05218675

Database	Data ID
PubChem	0

M. W.

255.33816

CAS

97-26-7

Similarity

N/A

ID: 111334

terbium(3+) ion tris(nitrooxidane) pentahydrate

$$$$ Data

M. F.

H10N3O14Tb

Suppliers	Catalog Number
Sigma Aldrich	325945
MP Biomedicals	05218697
Alfa Aesar	13593 74103

Database	Data ID
PubChem	17924347

M. W.

435.01644

CAS

57584-27-7

Similarity

N/A

ID: 111335

trimethylazanium perchlorate

$$$$ Data

M. F.

C3H10ClNO4

Suppliers	Catalog Number
MP Biomedicals	05218700

Database	Data ID
PubChem	18757446

M. W.

159.5688

CAS

Similarity

N/A

ID: 111336

tristrontium(2+) ion diborate

$$$$ Data

M. F.

B2O6Sr3

Suppliers	Catalog Number
MP Biomedicals	05218702

Database	Data ID
PubChem	169877

M. W.

380.4784

CAS

Similarity

N/A

ID: 111337

strontium(2+) ion hexahydrate dibromide

$$$$ Data

M. F.

Br2O6Sr

Suppliers	Catalog Number
MP Biomedicals	05218703
Alfa Aesar	B22553 72105

Database	Data ID
PubChem	165644

M. W.

343.4244

CAS

7789-53-9

Similarity

N/A

ID: 111338

strontium(2+) ion oxidandiide

$$$$ Data

M. F.

OSr

Suppliers	Catalog Number
MP Biomedicals	05218704
Alfa Aesar	88220 12495

Database	Data ID
Wikipedia	Strontium_oxide
PubChem	73975

M. W.

103.6194

CAS

1314-11-0

Similarity

N/A

ID: 111339

strontium(2+) ion butanedioate

$$$$ Data

M. F.

C4H4O4Sr

Suppliers	Catalog Number
MP Biomedicals	05218707

Database	Data ID
PubChem	11424247

M. W.

203.69216

CAS

Similarity

N/A

ID: 111340

4-({bis[(4-oxopent-2-en-2-yl)oxy]terbio}oxy)pent-3-en-2-one

$$$$ Data

M. F.

C15H21O6Tb

Suppliers	Catalog Number
MP Biomedicals	05218711

Database	Data ID
PubChem	71300206

M. W.

456.24898

CAS

Similarity

N/A

ID: 111341

tantalum

$$$$ Data

M. F.

Suppliers	Catalog Number
Sigma Aldrich	356999 262862 593486 (more...)
MP Biomedicals	05218713
Alfa Aesar	42933 10357 10354 (more...)

Database	Data ID
PubChem	23956

M. W.

180.9479

CAS

7440-25-7

Similarity

N/A

ID: 111342

2-methylaniline; sulfuric acid

$$$$ Data

M. F.

C7H11NO4S

Suppliers	Catalog Number
MP Biomedicals	05218717

Database	Data ID
PubChem	18931939

M. W.

205.23154

CAS

Similarity

N/A

ID: 111343

2-(2-methylphenyl)-2,3-dihydro-1H-isoindole-1,3-dione

$$$$ Data

M. F.

C15H11NO2

Suppliers	Catalog Number
MP Biomedicals	05218720

Database	Data ID
PubChem	94776

M. W.

237.25334

CAS

2464-33-7

Similarity

N/A

ID: 111344

(2S)-2-(4-methylbenzenesulfonamido)pentanedioic acid

$$$$ Data More

M. F.

C12H15NO6S

Suppliers	Catalog Number
Sigma Aldrich	T3630
MP Biomedicals	05218731
TRC	T664985

Database	Data ID
PubChem	2063452

M. W.

301.3156

CAS

4816-80-2

Similarity

N/A

ID: 111345

titaniumylidyneamine

$$$$ Data

M. F.

NTi

Suppliers	Catalog Number
Sigma Aldrich	333247 595063
MP Biomedicals	05218737
Alfa Aesar	41113 41112 41110 (more...)

Database	Data ID
Wikipedia	Titanium_nitride
PubChem	93091

M. W.

61.8737

CAS

25583-20-4

Similarity

N/A

ID: 111346

oxotitanium

$$$$ Data

M. F.

OTi

Suppliers	Catalog Number
Sigma Aldrich	481041 89502 379174
MP Biomedicals	05218739

Database	Data ID
PubChem	61685

M. W.

63.8664

CAS

12137-20-1

Similarity

N/A

ID: 111347

4-{bis[2-hydroxy-3-methyl-6-(propan-2-yl)phenyl]methylidene}-N,N-dimethylcyclohe...

$$$$ Data

M. F.

C29H37NO6S

Suppliers	Catalog Number
MP Biomedicals	05218744

Database	Data ID
PubChem	24200777

M. W.

527.67218

CAS

7512-38-1

Similarity

N/A

ID: 111348

(boranylidynetitaniumylidyne)borane

$$$$ Data

M. F.

B2H4Ti

Suppliers	Catalog Number
Sigma Aldrich	336289
MP Biomedicals	05218754
Alfa Aesar	44558

Database	Data ID
PubChem	0

M. W.

73.52076

CAS

12045-63-5

Similarity

N/A

ID: 111349

thulium(3+) ion trifluoride

$$$$ Data

M. F.

F3Tm

Suppliers	Catalog Number
MP Biomedicals	05218755
Alfa Aesar	11204 38615 13652 (more...)

Database	Data ID
PubChem	10220162

M. W.

225.9294196

CAS

14404-59-2

Similarity

N/A

ID: 111350

2-(4-methylbenzenesulfonamido)acetic acid

$$$$ Data More

M. F.

C9H11NO4S

Suppliers	Catalog Number
Sigma Aldrich	403458
MP Biomedicals	05218771
Alfa Aesar	H53371

Database	Data ID
PubChem	70653

M. W.

229.25294

CAS

1080-44-0

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