Tuesday, May 29, 2012

http://ChemLookup.com Compounds




CAS RN: 19911-08-1
CAS Name: 2-(dibutoxyphosphorylmethyl)oxirane
OPENEYE Name: 2-(dibutoxyphosphorylmethyl)oxirane
IUPAC Name: 2-(dibutoxyphosphorylmethyl)oxirane
SYSTEMATIC NAME: 2-(dibutoxyphosphorylmethyl)oxirane
MOLECULAR FORMULA: C11H23O4P
MOLECULAR WEIGHT: 250.271681
SMILES: CCCCOP(=O)(CC1CO1)OCCCC
Structure:

CAS RN: 54286-77-0
CAS Name: N-(6-methyl-4-oxo-1H-pyrimidin-2-yl)acetamide
OPENEYE Name: N-(6-methyl-4-oxo-1H-pyrimidin-2-yl)acetamide
IUPAC Name: N-(6-methyl-4-oxo-1H-pyrimidin-2-yl)acetamide
SYSTEMATIC NAME: N-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)ethanamide
MOLECULAR FORMULA: C7H9N3O2
MOLECULAR WEIGHT: 167.16526
SMILES: CC1=CC(=O)N=C(N1)NC(=O)C
Structure:

CAS RN: 17046-23-0
CAS Name: 2-isocyanatopentanedioic acid diethyl ester
OPENEYE Name: diethyl 2-isocyanatopentanedioate
IUPAC Name: diethyl 2-isocyanatopentanedioate
SYSTEMATIC NAME: diethyl 2-isocyanatopentanedioate
MOLECULAR FORMULA: C10H15NO5
MOLECULAR WEIGHT: 229.2298
SMILES: CCOC(=O)CCC(C(=O)OCC)N=C=O
Structure:

CAS RN: 6473-98-9
CAS Name: 1,4-dimethyl-5-tetrazolimine
OPENEYE Name: 1,4-dimethyltetrazol-5-imine
IUPAC Name: 1,4-dimethyltetrazol-5-imine
SYSTEMATIC NAME: 1,4-dimethyl-1,2,3,4-tetrazol-5-imine
MOLECULAR FORMULA: C3H7N5
MOLECULAR WEIGHT: 113.12118
SMILES: CN1C(=N)N(N=N1)C
Structure:

CAS RN: 5697-20-1
CAS Name: 2-mercaptobenzamide
OPENEYE Name: 2-sulfanylbenzamide
IUPAC Name: 2-sulfanylbenzamide
SYSTEMATIC NAME: 2-sulfanylbenzamide
MOLECULAR FORMULA: C7H7NOS
MOLECULAR WEIGHT: 153.20158
SMILES: C1=CC=C(C(=C1)C(=O)N)S
Structure:

CAS RN: 17886-71-4
CAS Name: 2-(phenylmethylene)-5,6-dihydroimidazo[2,1-b]thiazol-3-one
OPENEYE Name: 2-benzylidene-5,6-dihydroimidazo[2,1-b]thiazol-3-one
IUPAC Name: 2-benzylidene-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
SYSTEMATIC NAME: 2-(phenylmethylidene)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
MOLECULAR FORMULA: C12H10N2OS
MOLECULAR WEIGHT: 230.2856
SMILES: C1CN2C(=O)C(=CC3=CC=CC=C3)SC2=N1
Structure:

CAS RN: 17046-24-1
CAS Name: 2-isocyanatobutanedioic acid diethyl ester
OPENEYE Name: diethyl 2-isocyanatobutanedioate
IUPAC Name: diethyl 2-isocyanatobutanedioate
SYSTEMATIC NAME: diethyl 2-isocyanatobutanedioate
MOLECULAR FORMULA: C9H13NO5
MOLECULAR WEIGHT: 215.20322
SMILES: CCOC(=O)CC(C(=O)OCC)N=C=O
Structure:

CAS RN: 7346-35-2
CAS Name: thiocyanic acid 4-thiocyanatobutyl ester
OPENEYE Name: 4-thiocyanatobutyl thiocyanate
IUPAC Name: 4-thiocyanatobutyl thiocyanate
SYSTEMATIC NAME: 4-thiocyanatobutyl thiocyanate
MOLECULAR FORMULA: C6H8N2S2
MOLECULAR WEIGHT: 172.27112
SMILES: C(CCSC#N)CSC#N
Structure:

CAS RN: 35377-93-6
CAS Name: [4-[4-[hydroxy(diphenyl)methyl]phenyl]phenyl]-diphenylmethanol
OPENEYE Name: [4-[4-[hydroxy(diphenyl)methyl]phenyl]phenyl]-diphenyl-methanol
IUPAC Name: [4-[4-[hydroxy(diphenyl)methyl]phenyl]phenyl]-diphenylmethanol
SYSTEMATIC NAME: [4-[4-[oxidanyl(diphenyl)methyl]phenyl]phenyl]-diphenyl-methanol
MOLECULAR FORMULA: C38H30O2
MOLECULAR WEIGHT: 518.6436
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)C4=CC=C(C=C4)C(C5=CC=CC=C5)(C6=CC=CC=C6)O)O
Structure:

CAS RN: 7257-59-2
CAS Name: S-(2-nitrophenyl)thiohydroxylamine
OPENEYE Name: S-(2-nitrophenyl)thiohydroxylamine
IUPAC Name: S-(2-nitrophenyl)thiohydroxylamine
SYSTEMATIC NAME: S-(2-nitrophenyl)thiohydroxylamine
MOLECULAR FORMULA: C6H6N2O2S
MOLECULAR WEIGHT: 170.18904
SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])SN
Structure:

CAS RN: 17467-35-5
CAS Name: 3-methyl-1,2,4-thiadiazol-5-amine
OPENEYE Name: 3-methyl-1,2,4-thiadiazol-5-amine
IUPAC Name: 3-methyl-1,2,4-thiadiazol-5-amine
SYSTEMATIC NAME: 3-methyl-1,2,4-thiadiazol-5-amine
MOLECULAR FORMULA: C3H5N3S
MOLECULAR WEIGHT: 115.1569
SMILES: CC1=NSC(=N1)N
Structure:

CAS RN: 7653-68-1
CAS Name: 2,5-bis(methylsulfonyl)-1,3,4-thiadiazole
OPENEYE Name: 2,5-bis(methylsulfonyl)-1,3,4-thiadiazole
IUPAC Name: 2,5-bis(methylsulfonyl)-1,3,4-thiadiazole
SYSTEMATIC NAME: 2,5-bis(methylsulfonyl)-1,3,4-thiadiazole
MOLECULAR FORMULA: C4H6N2O4S3
MOLECULAR WEIGHT: 242.29644
SMILES: CS(=O)(=O)C1=NN=C(S1)S(=O)(=O)C
Structure:

CAS RN: 85-20-1
CAS Name: 2-[(2,3,4,5,6-pentachlorophenyl)thio]acetic acid
OPENEYE Name: 2-(2,3,4,5,6-pentachlorophenyl)sulfanylacetic acid
IUPAC Name: 2-(2,3,4,5,6-pentachlorophenyl)sulfanylacetic acid
SYSTEMATIC NAME: 2-[2,3,4,5,6-pentakis(chloranyl)phenyl]sulfanylethanoic acid
MOLECULAR FORMULA: C8H3Cl5O2S
MOLECULAR WEIGHT: 340.43822
SMILES: C(C(=O)O)SC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
Structure:

CAS RN: 4264-00-0
CAS Name: 2-[anilino(oxo)methoxy]acetic acid
OPENEYE Name: 2-(phenylcarbamoyloxy)acetic acid
IUPAC Name: 2-(phenylcarbamoyloxy)acetic acid
SYSTEMATIC NAME: 2-(phenylcarbamoyloxy)ethanoic acid
MOLECULAR FORMULA: C9H9NO4
MOLECULAR WEIGHT: 195.17206
SMILES: C1=CC=C(C=C1)NC(=O)OCC(=O)O
Structure:

CAS RN: 19432-20-3
CAS Name: cyclohexane-1,4-disulfonyl chloride
OPENEYE Name: cyclohexane-1,4-disulfonyl chloride
IUPAC Name: cyclohexane-1,4-disulfonyl chloride
SYSTEMATIC NAME: cyclohexane-1,4-disulfonyl chloride
MOLECULAR FORMULA: C6H10Cl2O4S2
MOLECULAR WEIGHT: 281.1772
SMILES: C1CC(CCC1S(=O)(=O)Cl)S(=O)(=O)Cl
Structure:

CAS RN: 17795-24-3
CAS Name: 2-amino-3-propylsulfinylpropanoic acid
OPENEYE Name: 2-amino-3-propylsulfinyl-propanoic acid
IUPAC Name: 2-amino-3-propylsulfinylpropanoic acid
SYSTEMATIC NAME: 2-azanyl-3-propylsulfinyl-propanoic acid
MOLECULAR FORMULA: C6H13NO3S
MOLECULAR WEIGHT: 179.23732
SMILES: CCCS(=O)CC(C(=O)O)N
Structure:

CAS RN: 19967-57-8
CAS Name: 2-bromopropanal
OPENEYE Name: 2-bromopropanal
IUPAC Name: 2-bromopropanal
SYSTEMATIC NAME: 2-bromanylpropanal
MOLECULAR FORMULA: C3H5BrO
MOLECULAR WEIGHT: 136.9752
SMILES: CC(C=O)Br
Structure:

CAS RN: 55775-97-8
CAS Name: 2,6-dichloro-3-nitrobenzoic acid
OPENEYE Name: 2,6-dichloro-3-nitro-benzoic acid
IUPAC Name: 2,6-dichloro-3-nitrobenzoic acid
SYSTEMATIC NAME: 2,6-bis(chloranyl)-3-nitro-benzoic acid
MOLECULAR FORMULA: C7H3Cl2NO4
MOLECULAR WEIGHT: 236.00902
SMILES: C1=CC(=C(C(=C1[N+](=O)[O-])Cl)C(=O)O)Cl
Structure:

CAS RN: 68146-52-1
CAS Name: hexadecanoic acid 2,3-bis(methylsulfonyloxy)propyl ester
OPENEYE Name: 2,3-bis(methylsulfonyloxy)propyl hexadecanoate
IUPAC Name: 2,3-bis(methylsulfonyloxy)propyl hexadecanoate
SYSTEMATIC NAME: 2,3-bis(methylsulfonyloxy)propyl hexadecanoate
MOLECULAR FORMULA: C21H42O8S2
MOLECULAR WEIGHT: 486.68338
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COS(=O)(=O)C)OS(=O)(=O)C
Structure:

CAS RN: 13749-55-8
CAS Name: N,N-dibutylmethanethioamide
OPENEYE Name: N,N-dibutylthioformamide
IUPAC Name: N,N-dibutylmethanethioamide
SYSTEMATIC NAME: N,N-dibutylmethanethioamide
MOLECULAR FORMULA: C9H19NS
MOLECULAR WEIGHT: 173.31886
SMILES: CCCCN(CCCC)C=S
Structure:

CAS RN: 51616-09-2
CAS Name: 4-(2-bromoethoxy)benzoic acid
OPENEYE Name: 4-(2-bromoethoxy)benzoic acid
IUPAC Name: 4-(2-bromoethoxy)benzoic acid
SYSTEMATIC NAME: 4-(2-bromoethyloxy)benzoic acid
MOLECULAR FORMULA: C9H9BrO3
MOLECULAR WEIGHT: 245.06996
SMILES: C1=CC(=CC=C1C(=O)O)OCCBr
Structure:

CAS RN: 2846-90-4
CAS Name: 7-thiazolo[5,4-d]pyrimidinamine
OPENEYE Name: thiazolo[5,4-d]pyrimidin-7-amine
IUPAC Name: [1,3]thiazolo[5,4-d]pyrimidin-7-amine
SYSTEMATIC NAME: [1,3]thiazolo[5,4-d]pyrimidin-7-amine
MOLECULAR FORMULA: C5H4N4S
MOLECULAR WEIGHT: 152.17706
SMILES: C1=NC(=C2C(=N1)SC=N2)N
Structure:

CAS RN: 5145-67-5
CAS Name: 2-(1-pyrrolyl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-pyrrol-1-ylacetate
IUPAC Name: ethyl 2-pyrrol-1-ylacetate
SYSTEMATIC NAME: ethyl 2-pyrrol-1-ylethanoate
MOLECULAR FORMULA: C8H11NO2
MOLECULAR WEIGHT: 153.17844
SMILES: CCOC(=O)CN1C=CC=C1
Structure:

CAS RN: 64923-60-0
CAS Name: methanesulfonic acid 2-(methylsulfonyloxymethyl)butyl ester
OPENEYE Name: 2-(methylsulfonyloxymethyl)butyl methanesulfonate
IUPAC Name: 2-(methylsulfonyloxymethyl)butyl methanesulfonate
SYSTEMATIC NAME: 2-(methylsulfonyloxymethyl)butyl methanesulfonate
MOLECULAR FORMULA: C7H16O6S2
MOLECULAR WEIGHT: 260.32834
SMILES: CCC(COS(=O)(=O)C)COS(=O)(=O)C
Structure:

CAS RN: 1953-55-5
CAS Name: methanesulfonic acid [4-(methylsulfonyloxymethyl)phenyl]methyl ester
OPENEYE Name: [4-(methylsulfonyloxymethyl)phenyl]methyl methanesulfonate
IUPAC Name: [4-(methylsulfonyloxymethyl)phenyl]methyl methanesulfonate
SYSTEMATIC NAME: [4-(methylsulfonyloxymethyl)phenyl]methyl methanesulfonate
MOLECULAR FORMULA: C10H14O6S2
MOLECULAR WEIGHT: 294.34456
SMILES: CS(=O)(=O)OCC1=CC=C(C=C1)COS(=O)(=O)C
Structure:

CAS RN: 74124-22-4
CAS Name: 3-oxotetradecanoic acid ethyl ester
OPENEYE Name: ethyl 3-oxotetradecanoate
IUPAC Name: ethyl 3-oxotetradecanoate
SYSTEMATIC NAME: ethyl 3-oxidanylidenetetradecanoate
MOLECULAR FORMULA: C16H30O3
MOLECULAR WEIGHT: 270.4076
SMILES: CCCCCCCCCCCC(=O)CC(=O)OCC
Structure:

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