Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C18H34O2

Suppliers	Catalog Number
Sigma Aldrich	P8750
MP Biomedicals	05217741

Database	Data ID
PubChem	5282754

M. W.

282.46136

CAS

593-39-5

Similarity

N/A

ID: 111102

(2,2-dimethoxyethyl)benzene

$$$$ Data More

M. F.

C10H14O2

Suppliers	Catalog Number
Sigma Aldrich	P16605 W287601 77811
MP Biomedicals	05217744
Alfa Aesar	A18730

Database	Data ID
PubChem	60995

M. W.

166.21696

CAS

101-48-4

Similarity

N/A

ID: 111103

1,7-dichloroheptane

$$$$ Data

M. F.

C7H14Cl2

Suppliers	Catalog Number
MP Biomedicals	05217747

Database	Data ID
PubChem	69965

M. W.

169.09206

CAS

Similarity

N/A

ID: 111104

disilver(1+) ion selenate

$$$$ Data

M. F.

Ag2O4Se

Suppliers	Catalog Number
MP Biomedicals	05217751

Database	Data ID
PubChem	22045801

M. W.

358.694

CAS

Similarity

N/A

ID: 111105

disodium 3-carboxy-3-hydroxypentanedioate

$$$$ Data

M. F.

C6H6Na2O7

Suppliers	Catalog Number
MP Biomedicals	05217757

Database	Data ID
PubChem	8950

M. W.

236.08718

CAS

144-33-2

Similarity

N/A

ID: 111106

sodium oxoarsinite

$$$$ Data

M. F.

AsHNaO2

Suppliers	Catalog Number
Sigma Aldrich	S7400 38150 35000 (more...)
MP Biomedicals	05217761

Database	Data ID
PubChem	443495

M. W.

130.91811

CAS

7784-46-5

Similarity

N/A

ID: 111107

trisilver(1+) ion phosphate

$$$$ Data

M. F.

Ag3O4P

Suppliers	Catalog Number
Sigma Aldrich	337382
MP Biomedicals	05217762
Alfa Aesar	11415

Database	Data ID
PubChem	159913

M. W.

418.575961

CAS

7784-09-0

Similarity

N/A

ID: 111108

sodium (2S)-2-amino-3-carboxypropanoate

$$$$ Data

M. F.

C4H6NNaO4

Suppliers	Catalog Number
MP Biomedicals	05217764

Database	Data ID
PubChem	23672344

M. W.

155.08451

CAS

5598-53-8

Similarity

N/A

ID: 111109

sodium hexadecyl sulfate

$$$$ Data

M. F.

C16H33NaO4S

Suppliers	Catalog Number
MP Biomedicals	05217774
Alfa Aesar	L06402

Database	Data ID
PubChem	23695542

M. W.

344.48559

CAS

1120-01-0

Similarity

N/A

ID: 111110

sodium cyclohexane sulfamate

$$$$ Data

M. F.

C6H14NNaO3S

Suppliers	Catalog Number
MP Biomedicals	05217781

Database	Data ID
PubChem	25022156

M. W.

203.23503

CAS

139-05-9

Similarity

N/A

ID: 111111

trimethoxy(phenyl)silane

$$$$ Data More

M. F.

C9H14O3Si

Suppliers	Catalog Number
Sigma Aldrich	679313 435651 104744 (more...)
MP Biomedicals	05217794
Alfa Aesar	A13827

Database	Data ID
PubChem	18137

M. W.

198.29116

CAS

2996-92-1

Similarity

N/A

ID: 111112

(2-amino-3-hydroxypropoxy)phosphonic acid

$$$$ Data

M. F.

C3H10NO5P

Suppliers	Catalog Number
MP Biomedicals	05217802

Database	Data ID
PubChem	3323167

M. W.

171.088961

CAS

65929-04-6

Similarity

N/A

ID: 111113

sodium dicyanosilveruide

$$$$ Data

M. F.

C2AgN2Na

Suppliers	Catalog Number
MP Biomedicals	05217810

Database	Data ID
PubChem	44135908

M. W.

182.89277

CAS

21430-69-3

Similarity

N/A

ID: 111114

disodium oxido[3-(oxidoimino)butan-2-ylidene]amine

$$$$ Data

M. F.

C4H6N2Na2O2

Suppliers	Catalog Number
MP Biomedicals	05217812

Database	Data ID
PubChem	9576418

M. W.

160.08218

CAS

60908-54-5

Similarity

N/A

ID: 111115

1,3-dihydro-2-benzofuran-1-one

$$$$ Data More

M. F.

C8H6O2

Suppliers	Catalog Number
Sigma Aldrich	W419501 P39605 79770
MP Biomedicals	05217827
Alfa Aesar	A15516

Database	Data ID
Wikipedia	Phthalide
PubChem	6885

M. W.

134.13204

CAS

87-41-2

Similarity

N/A

ID: 111116

disodium fluorophosphonate

$$$$ Data More

M. F.

FNa2O3P

Suppliers	Catalog Number
Selleck Chemicals	S4013
Sigma Aldrich	344443
MP Biomedicals	05217832

Database	Data ID
Wikipedia	Sodium_monofluorophosphate
PubChem	24266

M. W.

143.9499042

CAS

7631-97-2

Similarity

N/A

ID: 111117

disulfanylideneplatinum

$$$$ Data

M. F.

PtS2

Suppliers	Catalog Number
Sigma Aldrich	398489
MP Biomedicals	05217836

Database	Data ID
PubChem	82862

M. W.

259.208

CAS

12038-21-0

Similarity

N/A

ID: 111118

platinum

$$$$ Data

M. F.

Suppliers	Catalog Number
Sigma Aldrich	685453 349372 267171 (more...)
MP Biomedicals	05217845
Alfa Aesar	12100 42204 10282 (more...)

Database	Data ID
PubChem	23939

M. W.

195.078

CAS

7440-06-4

Similarity

N/A

ID: 111119

sulfuric acid; {5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl}(6-methoxyquinolin-4-yl)...

$$$$ Data

M. F.

C20H26N2O6S

Suppliers	Catalog Number
MP Biomedicals	05217848

Database	Data ID
PubChem	11069

M. W.

422.49524

CAS

Similarity

N/A

ID: 111120

7-hydroxy-3-oxo-3H-phenoxazin-10-ium-10-olate

$$$$ Data

M. F.

C12H7NO4

Suppliers	Catalog Number
MP Biomedicals	05217870

Database	Data ID
Wikipedia	Resazurin
PubChem	11077

M. W.

229.18828

CAS

550-82-3

Similarity

N/A

ID: 111121

rhodium(3+) ion tris(nitrooxidane)

$$$$ Data

M. F.

N3O9Rh

Suppliers	Catalog Number
MP Biomedicals	05217874
Alfa Aesar	12633

Database	Data ID
PubChem	150190

M. W.

288.9202

CAS

10139-58-9

Similarity

N/A

ID: 111122

(rubidiooxy)rubidium

$$$$ Data

M. F.

ORb2

Suppliers	Catalog Number
MP Biomedicals	05217876

Database	Data ID
PubChem	87451

M. W.

186.935

CAS

18088-11-4

Similarity

N/A

ID: 111123

3',6'-bis(diethylamino)-6-isothiocyanato-3H-spiro[2-benzofuran-1,9'-xanthene]-3-...

$$$$ Data

M. F.

C29H29N3O3S

Suppliers	Catalog Number
MP Biomedicals	05217881

Database	Data ID
PubChem	112325

M. W.

499.62386

CAS

36877-69-7

Similarity

N/A

ID: 111124

(3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol

$$$$ Data

M. F.

C5H10O5

Suppliers	Catalog Number
MP Biomedicals	05217882

Database	Data ID
PubChem	5779

M. W.

150.1299

CAS

50-69-1

Similarity

N/A

ID: 111125

rhodium(3+) ion potassium tetrachloride

$$$$ Data

M. F.

Cl4KRh

Suppliers	Catalog Number
MP Biomedicals	05217883

Database	Data ID
PubChem	25022131

M. W.

283.8158

CAS

Similarity

N/A

ID: 111126

3-hydroxyphenyl acetate

$$$$ Data

M. F.

C8H8O3

Suppliers	Catalog Number
Sigma Aldrich	R856
MP Biomedicals	05217884

Database	Data ID
PubChem	5055

M. W.

152.14732

CAS

102-29-4

Similarity

N/A

ID: 111127

sodium 12-hydroxyoctadec-9-enoate

$$$$ Data

M. F.

C18H33NaO3

Suppliers	Catalog Number
MP Biomedicals	05217885

Database	Data ID
PubChem	23670771

M. W.

320.44259

CAS

5323-95-5

Similarity

N/A

ID: 111128

5,6,11,12-tetraphenyltetracene

$$$$ Data

M. F.

C42H28

Suppliers	Catalog Number
Sigma Aldrich	R2206 554073 551112 (more...)
MP Biomedicals	05217889
Alfa Aesar	H53507

Database	Data ID
Wikipedia	Rubrene
PubChem	68203

M. W.

532.67172

CAS

517-51-1

Similarity

N/A

ID: 111129

1-methyl-7-(propan-2-yl)phenanthrene

$$$$ Data

M. F.

C18H18

Suppliers	Catalog Number
Sigma Aldrich	393959
MP Biomedicals	05217893

Database	Data ID
PubChem	10222

M. W.

234.33552

CAS

483-65-8

Similarity

N/A

ID: 111130

oxo[(oxorhodio)oxy]rhodium

$$$$ Data

M. F.

O3Rh2

Suppliers	Catalog Number
Sigma Aldrich	204226 83770
MP Biomedicals	05217894

Database	Data ID
PubChem	4350945

M. W.

253.8092

CAS

12036-35-0

Similarity

N/A

ID: 111131

disodium 7-(ethylamino)-8-{2-[4-(4-{2-[2-(ethylamino)-7-sulfonatonaphthalen-1-yl...

$$$$ Data

M. F.

C38H34N6Na2O6S2

Suppliers	Catalog Number
MP Biomedicals	05217896

Database	Data ID
PubChem	44135901

M. W.

780.8227

CAS

Similarity

N/A

ID: 111132

rubidium(1+) ion chlorate

$$$$ Data

M. F.

ClO3Rb

Suppliers	Catalog Number
MP Biomedicals	05217897

Database	Data ID
PubChem	23674317

M. W.

168.919

CAS

13446-71-4

Similarity

N/A

ID: 111133

1,2,4-tris(benzyloxy)benzene

$$$$ Data

M. F.

C27H24O3

Suppliers	Catalog Number
MP Biomedicals	05217899

Database	Data ID
PubChem	11200317

M. W.

396.47766

CAS

Similarity

N/A

ID: 111134

samarium

$$$$ Data

M. F.

Suppliers	Catalog Number
Sigma Aldrich	693731 11925 261211 (more...)
MP Biomedicals	05217900
Alfa Aesar	00295 00610 14417 (more...)

Database	Data ID
PubChem	23951

M. W.

150.36

CAS

7440-19-9

Similarity

N/A

ID: 111135

4-[(2-chlorophenyl)[4-(dimethylamino)phenyl]methylidene]-N,N-dimethylcyclohexa-2...

$$$$ Data

M. F.

C23H24Cl2N2

Suppliers	Catalog Number
MP Biomedicals	05217910

Database	Data ID
PubChem	107404

M. W.

399.35606

CAS

3521-06-0

Similarity

N/A

ID: 111136

rhodium(3+) ion potassium tetrakis(iminomethanide)

$$$$ Data

M. F.

C4KN4Rh

Suppliers	Catalog Number
MP Biomedicals	05217915

Database	Data ID
PubChem	25022132

M. W.

246.0734

CAS

Similarity

N/A

ID: 111137

ruthenium(2+) ion iminooxidanium tris(nitrooxidane)

$$$$ Data

M. F.

N4O10Ru

Suppliers	Catalog Number
MP Biomedicals	05217918

Database	Data ID
PubChem	169615

M. W.

317.0908

CAS

34513-98-9

Similarity

N/A

ID: 111138

rhodium(3+) ion sodium tetrachloride

$$$$ Data

M. F.

Cl4NaRh

Suppliers	Catalog Number
MP Biomedicals	05217922

Database	Data ID
PubChem	25022133

M. W.

267.70727

CAS

Similarity

N/A

ID: 111139

rhodium(3+) ion triiodide

$$$$ Data

M. F.

I3Rh

Suppliers	Catalog Number
MP Biomedicals	05217923
Alfa Aesar	11029

Database	Data ID
PubChem	84945

M. W.

483.61891

CAS

15492-38-3

Similarity

N/A

ID: 111140

rhodium(3+) ion tribromide

$$$$ Data

M. F.

Br3Rh

Suppliers	Catalog Number
MP Biomedicals	05217927

Database	Data ID
PubChem	85020

M. W.

342.6175

CAS

15608-29-4

Similarity

N/A

ID: 111141

trichloro(nitroso)ruthenium

$$$$ Data

M. F.

Cl3NORu

Suppliers	Catalog Number
MP Biomedicals	05217929
Alfa Aesar	16622

Database	Data ID
PubChem	159858

M. W.

237.4351

CAS

18902-42-6

Similarity

N/A

ID: 111142

ruthenium

$$$$ Data

M. F.

Suppliers	Catalog Number
Sigma Aldrich	381152 326712 206199 (more...)
MP Biomedicals	05217930
Alfa Aesar	89117 11749 35767 (more...)

Database	Data ID
PubChem	23950

M. W.

101.07

CAS

100041-48-3

Similarity

N/A

ID: 111143

rubidiumol

$$$$ Data

M. F.

HORb

Suppliers	Catalog Number
MP Biomedicals	05218086 05217931

Database	Data ID
PubChem	62393

M. W.

102.47514

CAS

1310-82-3

Similarity

N/A

ID: 111144

fluororubidium

$$$$ Data

M. F.

FRb

Suppliers	Catalog Number
MP Biomedicals	05217932

Database	Data ID
PubChem	83473

M. W.

104.4662032

CAS

13446-74-7

Similarity

N/A

ID: 111145

dirubidium(1+) ion carbonate

$$$$ Data

M. F.

CO3Rb2

Suppliers	Catalog Number
Sigma Aldrich	251437 289310 83970
MP Biomedicals	05217935
Alfa Aesar	10562 11105

Database	Data ID
Wikipedia	Rubidium_carbonate
PubChem	11431

M. W.

230.9445

CAS

584-09-8

Similarity

N/A

ID: 111146

bromorubidium

$$$$ Data

M. F.

BrRb

Suppliers	Catalog Number
MP Biomedicals	05217936

Database	Data ID
PubChem	4670918

M. W.

165.3718

CAS

7789-39-1

Similarity

N/A

ID: 111147

rubidium(1+) ion acetate

$$$$ Data

M. F.

C2H3O2Rb

Suppliers	Catalog Number
Sigma Aldrich	289302
MP Biomedicals	05217937
Alfa Aesar	12890

Database	Data ID
PubChem	23673628

M. W.

144.51182

CAS

563-67-7

Similarity

N/A

ID: 111148

5-hydroxy-2-(4-hydroxyphenyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3-[(3,...

$$$$ Data

M. F.

C33H40O19

Suppliers	Catalog Number
MP Biomedicals	05217940

Database	Data ID
Wikipedia	Robinin
PubChem	5351997

M. W.

740.6593

CAS

81992-85-0

Similarity

N/A

ID: 111149

7,8-dimethyl-10-(2,3,4,5-tetrahydroxypentyl)-2H,3H,4H,10H-benzo[g]pteridine-2,4-...

$$$$ Data

M. F.

C17H20N4O6

Suppliers	Catalog Number
MP Biomedicals	05217941
Alfa Aesar	A11764
InterBioScreen	BB_NC-1371 Bio-0600

Database	Data ID
PubChem	1072

M. W.

376.3639

CAS

83-88-5

Similarity

N/A

ID: 111150

trichlororhodium

$$$$ Data

M. F.

Cl3Rh

Suppliers	Catalog Number
Sigma Aldrich	307866
MP Biomedicals	05217943

Database	Data ID
PubChem	24872

M. W.

209.2645

CAS

10049-07-7

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