Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C11H16O3

Suppliers	Catalog Number
MP Biomedicals	05216198

Database	Data ID
PubChem	7733

M. W.

196.24294

CAS

105-01-1

Similarity

N/A

ID: 110752

octasodium peroxol di(phosphonatooxy)phosphonate

$$$$ Data

M. F.

H2Na8O16P4

Suppliers	Catalog Number
MP Biomedicals	05216199

Database	Data ID
PubChem	25022169

M. W.

565.819484

CAS

Similarity

N/A

ID: 110753

trinickel(2+) ion diarsorate

$$$$ Data

M. F.

As2Ni3O8

Suppliers	Catalog Number
MP Biomedicals	05216201

Database	Data ID
PubChem	19786074

M. W.

453.9186

CAS

Similarity

N/A

ID: 110754

nickel(2+) ion dioxoborinate

$$$$ Data

M. F.

B2H2NiO4

Suppliers	Catalog Number
MP Biomedicals	05216202
Alfa Aesar	39481

Database	Data ID
PubChem	25021987

M. W.

146.32888

CAS

51142-85-9

Similarity

N/A

ID: 110755

nickel(2+) ion dioxochromiumbis(olate)

$$$$ Data

M. F.

CrNiO4

Suppliers	Catalog Number
MP Biomedicals	05216205

Database	Data ID
PubChem	61767

M. W.

174.6871

CAS

12018-18-7

Similarity

N/A

ID: 110756

3-(dodecanoyloxy)-2,2-dimethylpropyl dodecanoate

$$$$ Data

M. F.

C29H56O4

Suppliers	Catalog Number
MP Biomedicals	05216212

Database	Data ID
PubChem	82701

M. W.

468.75254

CAS

10525-39-0

Similarity

N/A

ID: 110757

nickel(2+) ion hydrate diiodide

$$$$ Data

M. F.

I2NiO

Suppliers	Catalog Number
MP Biomedicals	05216215

Database	Data ID
PubChem	25021990

M. W.

328.50174

CAS

7790-34-3

Similarity

N/A

ID: 110758

1-(3-isocyanatophenyl)ethan-1-one

$$$$ Data

M. F.

C9H7NO2

Suppliers	Catalog Number
Sigma Aldrich	439940
MP Biomedicals	05216216
Alfa Aesar	L12030

Database	Data ID
PubChem	312718

M. W.

161.15738

CAS

23138-64-9

Similarity

N/A

ID: 110759

disodium 3-hydroxy-4-[2-(4-nitrophenyl)diazen-1-yl]naphthalene-2,7-disulfonate

$$$$ Data

M. F.

C16H9N3Na2O9S2

Suppliers	Catalog Number
MP Biomedicals	05216222
Alfa Aesar	B24279

Database	Data ID
PubChem	5748564

M. W.

497.3669

CAS

7143-21-7

Similarity

N/A

ID: 110760

nickel(2+) ion carbonate

$$$$ Data

M. F.

CNiO3

Suppliers	Catalog Number
MP Biomedicals	05216223
Alfa Aesar	22897

Database	Data ID
Wikipedia	Nickel(II)_carbonate
PubChem	18746

M. W.

118.7023

CAS

29863-10-3

Similarity

N/A

ID: 110761

2-(naphthalen-2-ylsulfanyl)acetic acid

$$$$ Data

M. F.

C12H10O2S

Suppliers	Catalog Number
MP Biomedicals	05216228
Enamine	EN300-16701

Database	Data ID
PubChem	66728

M. W.

218.2716

CAS

Similarity

N/A

ID: 110762

nickel(2+) ion diformate

$$$$ Data

M. F.

C2H2NiO4

Suppliers	Catalog Number
MP Biomedicals	05216229

Database	Data ID
PubChem	27506

M. W.

148.72828

CAS

3349-06-2

Similarity

N/A

ID: 110763

$l^{1}-nickel(1+) ion 2-hydroxypropanoate

$$$$ Data

M. F.

C3H5NiO3

Suppliers	Catalog Number
MP Biomedicals	05216230

Database	Data ID
PubChem	44135663

M. W.

147.7634

CAS

59836-85-0

Similarity

N/A

ID: 110764

2,2-dimethyl-3-(nonanoyloxy)propyl nonanoate

$$$$ Data

M. F.

C23H44O4

Suppliers	Catalog Number
MP Biomedicals	05216232

Database	Data ID
PubChem	85132

M. W.

384.59306

CAS

Similarity

N/A

ID: 110765

3-[(12-hydroxyoctadec-9-enoyl)oxy]-2,2-dimethylpropyl 12-hydroxyoctadec-9-enoate

$$$$ Data

M. F.

C41H76O6

Suppliers	Catalog Number
MP Biomedicals	05216233

Database	Data ID
PubChem	71300202

M. W.

665.03854

CAS

Similarity

N/A

ID: 110766

nickelylidynearsane

$$$$ Data

M. F.

AsH2Ni

Suppliers	Catalog Number
MP Biomedicals	05216236

Database	Data ID
PubChem	62391

M. W.

135.63088

CAS

27016-75-7

Similarity

N/A

ID: 110767

iron(2+) ion dinickel(2+) ion hexakis(iminomethanide)

$$$$ Data

M. F.

C6FeN6Ni2

Suppliers	Catalog Number
MP Biomedicals	05216241

Database	Data ID
PubChem	6101841

M. W.

329.3362

CAS

14874-78-3

Similarity

N/A

ID: 110768

naphthalen-2-yl tetradecanoate

$$$$ Data

M. F.

C24H34O2

Suppliers	Catalog Number
MP Biomedicals	05216246

Database	Data ID
PubChem	81684

M. W.

354.52556

CAS

7262-80-8

Similarity

N/A

ID: 110769

naphthalen-2-yl 2-methylpropanoate

$$$$ Data

M. F.

C14H14O2

Suppliers	Catalog Number
MP Biomedicals	05216249

Database	Data ID
PubChem	532743

M. W.

214.25976

CAS

Similarity

N/A

ID: 110770

2,2-dimethylpropanoic acid

$$$$ Data More

M. F.

C5H10O2

Suppliers	Catalog Number
Sigma Aldrich	T71803 80880 80882
MP Biomedicals	05216255
Alfa Aesar	A10776

Database	Data ID
Wikipedia	Pivalic_acid
PubChem	6417

M. W.

102.1317

CAS

75-98-9

Similarity

N/A

ID: 110771

3-methyl-2-phenylbutanoic acid

$$$$ Data More

M. F.

C11H14O2

Suppliers	Catalog Number
MP Biomedicals	05216256
Alfa Aesar	A16077
Enamine	EN300-93753

Database	Data ID
PubChem	19024

M. W.

178.22766

CAS

3508-94-9

Similarity

N/A

ID: 110772

sodium 4-hydroxynaphthalene-1-sulfonate

$$$$ Data

M. F.

C10H7NaO4S

Suppliers	Catalog Number
Sigma Aldrich	70590
MP Biomedicals	05216261

Database	Data ID
PubChem	4626046

M. W.

246.21495

CAS

6099-57-6

Similarity

N/A

ID: 110773

1-isocyanato-2-(propan-2-yl)benzene

$$$$ Data More

M. F.

C10H11NO

Suppliers	Catalog Number
Sigma Aldrich	478989
MP Biomedicals	05216262
Alfa Aesar	L10618

Database	Data ID
PubChem	91797

M. W.

161.20044

CAS

56309-56-9

Similarity

N/A

ID: 110774

sodium 2-(naphthalen-1-yl)acetate

$$$$ Data

M. F.

C12H9NaO2

Suppliers	Catalog Number
MP Biomedicals	05216269
Bide Pharmatech	BD59716

Database	Data ID
PubChem	23694671

M. W.

208.18843

CAS

61-31-4

Similarity

N/A

ID: 110775

disodium dihydrate tellurate

$$$$ Data

M. F.

H4Na2O6Te

Suppliers	Catalog Number
MP Biomedicals	05216274
Alfa Aesar	75106

Database	Data ID
PubChem	147003

M. W.

273.6077

CAS

10101-83-4

Similarity

N/A

ID: 110776

nickel(2+) ion dioxomolybdenumbis(olate)

$$$$ Data

M. F.

MoNiO4

Suppliers	Catalog Number
Sigma Aldrich	541222
MP Biomedicals	05216275
Alfa Aesar	89938

Database	Data ID
PubChem	84241

M. W.

218.651

CAS

14177-55-0

Similarity

N/A

ID: 110777

nickel(2+) ion hexahydrate dinitrate

$$$$ Data

M. F.

H12N2NiO12

Suppliers	Catalog Number
Sigma Aldrich	203874 72253 244074 (more...)
MP Biomedicals	05216276
Alfa Aesar	10816 12222

Database	Data ID
PubChem	61630

M. W.

290.79488

CAS

13478-00-7

Similarity

N/A

ID: 110778

nickel

$$$$ Data

M. F.

Suppliers	Catalog Number
Sigma Aldrich	278963 208787 266965 (more...)
MP Biomedicals	05216292 05222194
Alfa Aesar	14193 35482 10674 (more...)

Database	Data ID
PubChem	935

M. W.

58.6934

CAS

7440-02-0

Similarity

N/A

ID: 110779

2,4,8,10-tetramethyl-1$l^{3},5$l^{3}-dioxa-7$l^{3},11$l^{3}-dioxa-6-nickelaspiro...

$$$$ Data

M. F.

C10H14NiO4

Suppliers	Catalog Number
MP Biomedicals	05216293

Database	Data ID
PubChem	2723707

M. W.

256.90916

CAS

3264-82-2

Similarity

N/A

ID: 110780

nickel(2+) ion bis([3-(hydroxyimino)butan-2-ylidene](oxido)amine)

$$$$ Data

M. F.

C8H14N4NiO4

Suppliers	Catalog Number
MP Biomedicals	05216295
Alfa Aesar	39458

Database	Data ID
PubChem	25021988

M. W.

288.91456

CAS

46755-15-1

Similarity

N/A

ID: 110781

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

$$$$ Data

M. F.

C12H10Ni3O14

Suppliers	Catalog Number
MP Biomedicals	05216296
Alfa Aesar	39634

Database	Data ID
PubChem	165394

M. W.

554.2796

CAS

22605-92-1

Similarity

N/A

ID: 110782

(3-nitrobenzoyl)urea

$$$$ Data

M. F.

C8H7N3O4

Suppliers	Catalog Number
MP Biomedicals	05216298

Database	Data ID
PubChem	248911

M. W.

209.15888

CAS

6971-48-8

Similarity

N/A

ID: 110783

(4-nitrophenyl)methyl acetate

$$$$ Data

M. F.

C9H9NO4

Suppliers	Catalog Number
MP Biomedicals	05216299
Bide Pharmatech	BD7820

Database	Data ID
PubChem	12094

M. W.

195.17206

CAS

619-90-9

Similarity

N/A

ID: 110784

3-carbamoylpyridin-1-ium bromide

$$$$ Data

M. F.

C6H7BrN2O

Suppliers	Catalog Number
MP Biomedicals	05216301

Database	Data ID
PubChem	517362

M. W.

203.03658

CAS

Similarity

N/A

ID: 110785

tris($l^{3}-nickel(3+) ion) heptahydrate triphosphate

$$$$ Data

M. F.

H14Ni3O19P3

Suppliers	Catalog Number
MP Biomedicals	05216302

Database	Data ID
PubChem	25021992

M. W.

587.101243

CAS

14396-43-1

Similarity

N/A

ID: 110786

trisodium 2-[bis(carboxylatomethyl)amino]acetate

$$$$ Data

M. F.

C6H6NNa3O6

Suppliers	Catalog Number
Sigma Aldrich	N0253
MP Biomedicals	05216311

Database	Data ID
PubChem	21152

M. W.

257.08425

CAS

5064-31-3

Similarity

N/A

ID: 110787

2-nitro-1-phenylethan-1-one

$$$$ Data

M. F.

C8H7NO3

Suppliers	Catalog Number
Sigma Aldrich	308080
MP Biomedicals	05216314

Database	Data ID
PubChem	94833

M. W.

165.14608

CAS

614-21-1

Similarity

N/A

ID: 110788

sulfanylidenenickel

$$$$ Data

M. F.

NiS

Suppliers	Catalog Number
MP Biomedicals	05216315

Database	Data ID
PubChem	28094

M. W.

90.7584

CAS

16812-54-7

Similarity

N/A

ID: 110789

propan-2-yl 3-methylbut-2-enoate

$$$$ Data

M. F.

C8H14O2

Suppliers	Catalog Number
MP Biomedicals	05216332

Database	Data ID
PubChem	15613

M. W.

142.19556

CAS

1733-25-1

Similarity

N/A

ID: 110790

3-nitrobenzene-1-sulfonic acid

$$$$ Data

M. F.

C6H5NO5S

Suppliers	Catalog Number
MP Biomedicals	05216333
A&J Pharmtech	AJA-O749

Database	Data ID
PubChem	7387

M. W.

203.1726

CAS

98-47-5

Similarity

N/A

ID: 110791

5-methyl-4-[2-(4-nitrophenyl)diazen-1-yl]benzene-1,3-diol

$$$$ Data

M. F.

C13H11N3O4

Suppliers	Catalog Number
MP Biomedicals	05216339

Database	Data ID
PubChem	5464213

M. W.

273.24414

CAS

607-96-5

Similarity

N/A

ID: 110792

1,7-dimethyl 4-methyl-4-nitroheptanedioate

$$$$ Data

M. F.

C10H17NO6

Suppliers	Catalog Number
MP Biomedicals	05216355

Database	Data ID
PubChem	12815099

M. W.

247.24508

CAS

Similarity

N/A

ID: 110793

pentyl nitrite

$$$$ Data

M. F.

C5H11NO2

Suppliers	Catalog Number
MP Biomedicals	05216361

Database	Data ID
Wikipedia	Amyl_nitrite
PubChem	10026

M. W.

117.14634

CAS

110-46-3

Similarity

N/A

ID: 110794

3-nitro-1H-1,2-benzodiazepine

$$$$ Data

M. F.

C9H7N3O2

Suppliers	Catalog Number
MP Biomedicals	05216369

Database	Data ID
PubChem	25022001

M. W.

189.17078

CAS

Similarity

N/A

ID: 110795

silanedithione

$$$$ Data

M. F.

S2Si

Suppliers	Catalog Number
MP Biomedicals	05218394 05216375
Alfa Aesar	39652

Database	Data ID
Wikipedia	Silicon_sulfide
PubChem	83705

M. W.

92.2155

CAS

13759-10-9

Similarity

N/A

ID: 110796

1-nitrohexane

$$$$ Data

M. F.

C6H13NO2

Suppliers	Catalog Number
Sigma Aldrich	259497 73360 73358
MP Biomedicals	05216378
TRC	N496125

Database	Data ID
PubChem	12589

M. W.

131.17292

CAS

646-14-0

Similarity

N/A

ID: 110797

1,4-diphenyl-3-(phenylazanidyl)-1H-1,2,4$l^{5}-triazol-4-ylium

$$$$ Data

M. F.

C20H16N4

Suppliers	Catalog Number
MP Biomedicals	05216382

Database	Data ID
PubChem	720071

M. W.

312.36784

CAS

487-88-7

Similarity

N/A

ID: 110798

5-methyl-2-(4-nitrophenyl)-2,3-dihydro-1H-pyrazol-3-one

$$$$ Data

M. F.

C10H9N3O3

Suppliers	Catalog Number
MP Biomedicals	05216387

Database	Data ID
PubChem	721996

M. W.

219.19676

CAS

6402-09-1

Similarity

N/A

ID: 110799

1-(2-methylprop-2-en-1-yl)-2-{[2-(2-methylprop-2-en-1-yl)phenyl]sulfanyl}benzene

$$$$ Data

M. F.

C20H22S

Suppliers	Catalog Number
MP Biomedicals	05216394

Database	Data ID
PubChem	25021884

M. W.

294.45368

CAS

Similarity

N/A

ID: 110800

methanesulfonohydrazide

$$$$ Data

M. F.

CH6N2O2S

Suppliers	Catalog Number
MP Biomedicals	05216396
Enamine	EN300-105246

Database	Data ID
PubChem	269268

M. W.

110.13554

CAS

10393-86-9

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