Chembase list of 866358 unique molecular structures

chromium(3+) ion 2-hydroxypropane-1,2,3-tricarboxylate

$$$$ Data

M. F.

C6H5CrO7

Suppliers	Catalog Number
MP Biomedicals	05224039

Database	Data ID
PubChem	6453431

M. W.

241.0958

CAS

57072-40-9

Similarity

N/A

ID: 112452

[(8-hydroxyoctyl)oxy]titaniumoylol

$$$$ Data

M. F.

C8H18O4Ti

Suppliers	Catalog Number
MP Biomedicals	05224045

Database	Data ID
PubChem	21881282

M. W.

226.09312

CAS

Similarity

N/A

ID: 112453

2-(4-fluoro-2-methylphenoxy)acetic acid

$$$$ Data

M. F.

C9H9FO3

Suppliers	Catalog Number
MP Biomedicals	05224048

Database	Data ID
PubChem	44135840

M. W.

184.1643632

CAS

Similarity

N/A

ID: 112454

3-ethylhexane

$$$$ Data

M. F.

C8H18

Suppliers	Catalog Number
MP Biomedicals	05224057

Database	Data ID
PubChem	12096

M. W.

114.22852

CAS

619-99-8

Similarity

N/A

ID: 112455

3,3-dimethylhexane

$$$$ Data

M. F.

C8H18

Suppliers	Catalog Number
MP Biomedicals	05224058

Database	Data ID
PubChem	11233

M. W.

114.22852

CAS

563-16-6

Similarity

N/A

ID: 112456

2,7,12,17-tetraphenyl-21,23,24,25-tetraaza-22-manganahexacyclo[9.9.3.1^{3,6}.1^{...

$$$$ Data

M. F.

C46H32MnN4O2

Suppliers	Catalog Number
MP Biomedicals	05224066

Database	Data ID
PubChem	44135862

M. W.

727.709929

CAS

58356-65-3

Similarity

N/A

ID: 112457

5-methyl-2,3-dihydro-1,3,4-thiadiazole-2-thione

$$$$ Data

M. F.

C3H4N2S2

Suppliers	Catalog Number
MP Biomedicals	05224089

Database	Data ID
PubChem	1810203

M. W.

132.20726

CAS

29490-19-5

Similarity

N/A

ID: 112458

copper(2+) ion dichlorate

$$$$ Data

M. F.

Cl2CuO6

Suppliers	Catalog Number
MP Biomedicals	05224101

Database	Data ID
PubChem	3014850

M. W.

230.4484

CAS

14721-21-2

Similarity

N/A

ID: 112459

tricuprioarsane

$$$$ Data

M. F.

AsCu3

Suppliers	Catalog Number
MP Biomedicals	05224106

Database	Data ID
PubChem	6914516

M. W.

265.5596

CAS

12005-75-3

Similarity

N/A

ID: 112460

tellanylidenecalcium

$$$$ Data

M. F.

CaHTe

Suppliers	Catalog Number
MP Biomedicals	05224130

Database	Data ID
PubChem	82797

M. W.

168.68594

CAS

12013-57-9

Similarity

N/A

ID: 112461

caesium(1+) ion vanadiumoylolate

$$$$ Data

M. F.

CsO3V

Suppliers	Catalog Number
Sigma Aldrich	520926
MP Biomedicals	05224134
Alfa Aesar	39213

Database	Data ID
PubChem	23689378

M. W.

231.84515

CAS

14644-55-4

Similarity

N/A

ID: 112462

selanylidenecobalt

$$$$ Data

M. F.

CoHSe

Suppliers	Catalog Number
Sigma Aldrich	401048
MP Biomedicals	05224137

Database	Data ID
Wikipedia	Cobalt(II)_selenide
PubChem	102108

M. W.

138.90114

CAS

1307-99-9

Similarity

N/A

ID: 112463

iron(2+) ion dibromide

$$$$ Data

M. F.

Br2Fe

Suppliers	Catalog Number
MP Biomedicals	05224140
Alfa Aesar	31154 14541 43472 (more...)

Database	Data ID
Wikipedia	Iron(II)_bromide
PubChem	82240

M. W.

215.653

CAS

7789-46-0

Similarity

N/A

ID: 112464

tribromogadolinium

$$$$ Data

M. F.

Br3Gd

Suppliers	Catalog Number
Sigma Aldrich	485020
MP Biomedicals	05224142

Database	Data ID
PubChem	83754

M. W.

396.962

CAS

13818-75-2

Similarity

N/A

ID: 112465

tetralithium(1+) ion (phosphonatooxy)phosphonate

$$$$ Data

M. F.

Li4O7P2

Suppliers	Catalog Number
MP Biomedicals	05224150

Database	Data ID
PubChem	15763836

M. W.

201.707322

CAS

Similarity

N/A

ID: 112466

tellanylidenestannanylidene

$$$$ Data

M. F.

HSnTe

Suppliers	Catalog Number
MP Biomedicals	05224169

Database	Data ID
PubChem	6432000

M. W.

247.30894

CAS

12040-02-7

Similarity

N/A

ID: 112467

thorium(4+) ion silicate

$$$$ Data

M. F.

O4SiTh

Suppliers	Catalog Number
MP Biomedicals	05224171

Database	Data ID
Wikipedia	Thorium(IV)_orthosilicate
PubChem	186011

M. W.

324.1212

CAS

14553-44-7

Similarity

N/A

ID: 112468

thulium(3+) ion triethyl sulfate

$$$$ Data

M. F.

C6H15O12S3Tm

Suppliers	Catalog Number
MP Biomedicals	05224172

Database	Data ID
PubChem	25022214

M. W.

544.30531

CAS

Similarity

N/A

ID: 112469

titanium(4+) ion diammonium trioxalate

$$$$ Data

M. F.

C6H8N2O12Ti

Suppliers	Catalog Number
MP Biomedicals	05224173

Database	Data ID
PubChem	25022221

M. W.

348.00092

CAS

10580-03-7

Similarity

N/A

ID: 112470

diyttrium(3+) ion tris(dioxotungstenbis(olate))

$$$$ Data

M. F.

O12W3Y2

Suppliers	Catalog Number
MP Biomedicals	05224178

Database	Data ID
PubChem	22624749

M. W.

921.3245

CAS

Similarity

N/A

ID: 112471

cyclohex-1-ene-1-carboxylic acid

$$$$ Data

M. F.

C7H10O2

Suppliers	Catalog Number
Sigma Aldrich	328367
MP Biomedicals	05224190
Alfa Aesar	A10741

Database	Data ID
PubChem	69470

M. W.

126.1531

CAS

636-82-8

Similarity

N/A

ID: 112472

4-cyclohexylmorpholine

$$$$ Data

M. F.

C10H19NO

Suppliers	Catalog Number
MP Biomedicals	05224194

Database	Data ID
PubChem	22938

M. W.

169.26396

CAS

6425-41-8

Similarity

N/A

ID: 112473

molybdenum(2+) ion disilyne

$$$$ Data

M. F.

MoSi2

Suppliers	Catalog Number
Sigma Aldrich	243647
MP Biomedicals	05224206
Alfa Aesar	11549

Database	Data ID
PubChem	0

M. W.

152.131

CAS

12136-78-6

Similarity

N/A

ID: 112474

tetraethylazanium acetate tetrahydrate

$$$$ Data

M. F.

C10H31NO6

Suppliers	Catalog Number
Sigma Aldrich	T1515 205583 86607
MP Biomedicals	05224232

Database	Data ID
PubChem	2724098

M. W.

261.35624

CAS

67533-12-4

Similarity

N/A

ID: 112475

1,3-bis(prop-2-en-1-yl)thiourea

$$$$ Data

M. F.

C7H12N2S

Suppliers	Catalog Number
MP Biomedicals	05224245
Alfa Aesar	L08648

Database	Data ID
PubChem	3034186

M. W.

156.24858

CAS

6601-20-3

Similarity

N/A

ID: 112476

(3-benzoylphenyl)(phenyl)methanone

$$$$ Data More

M. F.

C20H14O2

Suppliers	Catalog Number
Sigma Aldrich	392057
MP Biomedicals	05224253
Alfa Aesar	A12768

Database	Data ID
PubChem	77388

M. W.

286.32396

CAS

3770-82-9

Similarity

N/A

ID: 112477

1-methoxycyclohexa-1,3-diene

$$$$ Data

M. F.

C7H10O

Suppliers	Catalog Number
Sigma Aldrich	217166
MP Biomedicals	05224260

Database	Data ID
PubChem	75098

M. W.

110.1537

CAS

2161-90-2

Similarity

N/A

ID: 112478

2,2-bis(2-chlorophenyl)-2-hydroxyacetic acid

$$$$ Data

M. F.

C14H10Cl2O3

Suppliers	Catalog Number
Sigma Aldrich	630020
MP Biomedicals	05224283
Alfa Aesar	L06356

Database	Data ID
PubChem	329060

M. W.

297.1334

CAS

3152-12-3

Similarity

N/A

ID: 112479

bis(2-chlorophenyl)methanone

$$$$ Data

M. F.

C13H8Cl2O

Suppliers	Catalog Number
MP Biomedicals	05224284
Alfa Aesar	L06144
Enamine	EN300-75729

Database	Data ID
PubChem	347097

M. W.

251.10802

CAS

5293-97-0

Similarity

N/A

ID: 112480

1,3-diphenylpropan-1-one

$$$$ Data More

M. F.

C15H14O

Suppliers	Catalog Number
MP Biomedicals	05224314
Alfa Aesar	L09173
Enamine	EN300-102554

Database	Data ID
Wikipedia	Dihydrochalcone
PubChem	64802

M. W.

210.27106

CAS

1083-30-3

Similarity

N/A

ID: 112481

1-(2-phenylethyl)aziridine

$$$$ Data

M. F.

C10H13N

Suppliers	Catalog Number
MP Biomedicals	05224318

Database	Data ID
PubChem	76626

M. W.

147.21692

CAS

Similarity

N/A

ID: 112482

diphenylphosphane

$$$$ Data More

M. F.

C12H11P

Suppliers	Catalog Number
Sigma Aldrich	252964 43154
MP Biomedicals	05224320
Alfa Aesar	56169

Database	Data ID
Wikipedia	Diphenylphosphine
PubChem	70017

M. W.

186.189501

CAS

829-85-6

Similarity

N/A

ID: 112483

2-(2-{1,8-dihydroxy-7-[2-(4-methyl-2-sulfophenyl)diazen-1-yl]-3,6-bis[(sodiooxy)...

$$$$ Data

M. F.

C24H18N4Na2O14S4

Suppliers	Catalog Number
MP Biomedicals	05224321

Database	Data ID
PubChem	71300212

M. W.

760.65766

CAS

Similarity

N/A

ID: 112484

3,6-bis[2-(4-bromo-2-sulfophenyl)diazen-1-yl]-4,5-dihydroxynaphthalene-2,7-disul...

$$$$ Data

M. F.

C22H14Br2N4O14S4

Suppliers	Catalog Number
MP Biomedicals	05224322

Database	Data ID
PubChem	19017066

M. W.

846.43296

CAS

16091-04-6

Similarity

N/A

ID: 112485

1-ethyl-2-[(1-ethyl-1,4-dihydroquinolin-4-ylidene)methyl]quinolin-1-ium iodide

$$$$ Data

M. F.

C23H23IN2

Suppliers	Catalog Number
MP Biomedicals	05224333

Database	Data ID
PubChem	5463397

M. W.

454.34659

CAS

634-21-9

Similarity

N/A

ID: 112486

1-ethyl-2-[(1E)-3-{1-ethyl-1H,2H-naphtho[1,2-d][1,3]thiazol-2-ylidene}prop-1-en-...

$$$$ Data

M. F.

C29H25IN2S2

Suppliers	Catalog Number
MP Biomedicals	05224334

Database	Data ID
PubChem	6509537

M. W.

592.55667

CAS

18359-88-1

Similarity

N/A

ID: 112487

3-ethyl-2-[3-(1-ethyl-1,2-dihydroquinolin-2-ylidene)prop-1-en-1-yl]-1,3-benzoxaz...

$$$$ Data

M. F.

C23H23IN2O

Suppliers	Catalog Number
MP Biomedicals	05224339

Database	Data ID
PubChem	24884329

M. W.

470.34599

CAS

57282-57-2

Similarity

N/A

ID: 112488

1-ethyl-2-[(1-ethyl-1,4-dihydropyridin-4-ylidene)methyl]pyridin-1-ium iodide

$$$$ Data

M. F.

C15H19IN2

Suppliers	Catalog Number
MP Biomedicals	05224340

Database	Data ID
PubChem	71300215

M. W.

354.22923

CAS

Similarity

N/A

ID: 112489

1-isocyanato-4-methoxy-2-methylbenzene

$$$$ Data

M. F.

C9H9NO2

Suppliers	Catalog Number
MP Biomedicals	05224352

Database	Data ID
PubChem	2734905

M. W.

163.17326

CAS

60385-06-0

Similarity

N/A

ID: 112490

3-methyl-2-{2-[(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)methyl]but-1-en-...

$$$$ Data

M. F.

C21H21IN2S2

Suppliers	Catalog Number
MP Biomedicals	05224390

Database	Data ID
PubChem	13980949

M. W.

492.43931

CAS

Similarity

N/A

ID: 112491

2,3-dimethylheptan-3-ol

$$$$ Data

M. F.

C9H20O

Suppliers	Catalog Number
MP Biomedicals	05224393
Alfa Aesar	B20480

Database	Data ID
PubChem	140544

M. W.

144.2545

CAS

19549-71-4

Similarity

N/A

ID: 112492

methyl[3-(trimethoxysilyl)propyl]amine

$$$$ Data More

M. F.

C7H19NO3Si

Suppliers	Catalog Number
Sigma Aldrich	551635
MP Biomedicals	05224399
Alfa Aesar	L16541

Database	Data ID
PubChem	76480

M. W.

193.31616

CAS

3069-25-8

Similarity

N/A

ID: 112493

heptyl 2,2-dimethylnonanoate

$$$$ Data

M. F.

C18H36O2

Suppliers	Catalog Number
MP Biomedicals	05224406

Database	Data ID
PubChem	25021564

M. W.

284.47724

CAS

Similarity

N/A

ID: 112494

3,5-dimethylheptan-4-ol

$$$$ Data

M. F.

C9H20O

Suppliers	Catalog Number
MP Biomedicals	05224407

Database	Data ID
PubChem	29655

M. W.

144.2545

CAS

19549-79-2

Similarity

N/A

ID: 112495

N,N-dimethylethanethioamide

$$$$ Data

M. F.

C4H9NS

Suppliers	Catalog Number
MP Biomedicals	05224412
Alfa Aesar	B20020

Database	Data ID
PubChem	12434

M. W.

103.18596

CAS

631-67-4

Similarity

N/A

ID: 112496

difluorodimethylstannane

$$$$ Data

M. F.

C2H6F2Sn

Suppliers	Catalog Number
MP Biomedicals	05224415

Database	Data ID
PubChem	77130

M. W.

186.7668464

CAS

3582-17-0

Similarity

N/A

ID: 112497

4-[2-(2-nitro-4-{3-nitro-4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazin-1-yl]p...

$$$$ Data

M. F.

C24H16N6O6

Suppliers	Catalog Number
MP Biomedicals	05224421

Database	Data ID
PubChem	5368818

M. W.

484.42044

CAS

Similarity

N/A

ID: 112498

N-(2,4-dinitrophenyl)-2,4-dimethylaniline

$$$$ Data

M. F.

C14H13N3O4

Suppliers	Catalog Number
MP Biomedicals	05224422

Database	Data ID
PubChem	296395

M. W.

287.27072

CAS

Similarity

N/A

ID: 112499

N-(2,4-dinitrophenyl)-3,4-dimethylaniline

$$$$ Data

M. F.

C14H13N3O4

Suppliers	Catalog Number
MP Biomedicals	05224431

Database	Data ID
PubChem	296394

M. W.

287.27072

CAS

Similarity

N/A

ID: 112500

1-phenoxy-N-[(phenoxycarbonyl)imino]formamide

$$$$ Data

M. F.

C14H10N2O4

Suppliers	Catalog Number
MP Biomedicals	05224434

Database	Data ID
PubChem	5381145

M. W.

270.2402

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