Tuesday, November 27, 2012

http://ChemLookup.com Compounds




CAS RN: 40587-64-2
CAS Name: 3,5-dibromo-4-nitrobenzoic acid ethyl ester
OPENEYE Name: ethyl 3,5-dibromo-4-nitro-benzoate
IUPAC Name: ethyl 3,5-dibromo-4-nitrobenzoate
SYSTEMATIC NAME: ethyl 3,5-bis(bromanyl)-4-nitro-benzoate
MOLECULAR FORMULA: C9H7Br2NO4
MOLECULAR WEIGHT: 352.96418
SMILES: CCOC(=O)C1=CC(=C(C(=C1)Br)[N+](=O)[O-])Br
Structure:

CAS RN: 40575-42-6
CAS Name: 1-octen-4-ol
OPENEYE Name: oct-1-en-4-ol
IUPAC Name: oct-1-en-4-ol
SYSTEMATIC NAME: oct-1-en-4-ol
MOLECULAR FORMULA: C8H16O
MOLECULAR WEIGHT: 128.21204
SMILES: CCCCC(CC=C)O
Structure:

CAS RN: 40575-41-5
CAS Name: 2-methyl-4-octanol
OPENEYE Name: 2-methyloctan-4-ol
IUPAC Name: 2-methyloctan-4-ol
SYSTEMATIC NAME: 2-methyloctan-4-ol
MOLECULAR FORMULA: C9H20O
MOLECULAR WEIGHT: 144.2545
SMILES: CCCCC(CC(C)C)O
Structure:

CAS RN: 40562-09-2
CAS Name: 5-methylene-6,7,8,9-tetrahydrobenzo[7]annulene
OPENEYE Name: 5-methylene-6,7,8,9-tetrahydrobenzo[7]annulene
IUPAC Name: 5-methylidene-6,7,8,9-tetrahydrobenzo[7]annulene
SYSTEMATIC NAME: 5-methylidene-6,7,8,9-tetrahydrobenzo[7]annulene
MOLECULAR FORMULA: C12H14
MOLECULAR WEIGHT: 158.23956
SMILES: C=C1CCCCC2=CC=CC=C12
Structure:

CAS RN: 40532-06-7
CAS Name: 2-isothiocyanato-1,4-dimethoxybenzene
OPENEYE Name: 2-isothiocyanato-1,4-dimethoxy-benzene
IUPAC Name: 2-isothiocyanato-1,4-dimethoxybenzene
SYSTEMATIC NAME: 2-isothiocyanato-1,4-dimethoxy-benzene
MOLECULAR FORMULA: C9H9NO2S
MOLECULAR WEIGHT: 195.23826
SMILES: COC1=CC(=C(C=C1)OC)N=C=S
Structure:

CAS RN: 40515-89-7
CAS Name: 2-phenoxyethylbenzene
OPENEYE Name: 2-phenoxyethylbenzene
IUPAC Name: 2-phenoxyethylbenzene
SYSTEMATIC NAME: 2-phenoxyethylbenzene
MOLECULAR FORMULA: C14H14O
MOLECULAR WEIGHT: 198.26036
SMILES: C1=CC=C(C=C1)CCOC2=CC=CC=C2
Structure:

CAS RN: 40488-97-9
CAS Name: N,N'-bis(2-fluoro-2,2-dinitroethyl)oxamide
OPENEYE Name: N,N'-bis(2-fluoro-2,2-dinitro-ethyl)oxamide
IUPAC Name: N,N'-bis(2-fluoro-2,2-dinitroethyl)oxamide
SYSTEMATIC NAME: N,N'-bis(2-fluoranyl-2,2-dinitro-ethyl)ethanediamide
MOLECULAR FORMULA: C6H6F2N6O10
MOLECULAR WEIGHT: 360.142846
SMILES: C(C([N+](=O)[O-])([N+](=O)[O-])F)NC(=O)C(=O)NCC([N+](=O)[O-])([N+](=O)[O-])F
Structure:

CAS RN: 40488-88-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H16O
MOLECULAR WEIGHT: 176.25484
SMILES: C1CC2CC1C3C2C4CC3CC4=O
Structure:

CAS RN: 40484-82-0
CAS Name: 3,5-dimethyl-4-(1-oxopropyl)-1H-pyrrole-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 3,5-dimethyl-4-propanoyl-1H-pyrrole-2-carboxylate
IUPAC Name: ethyl 3,5-dimethyl-4-propanoyl-1H-pyrrole-2-carboxylate
SYSTEMATIC NAME: ethyl 3,5-dimethyl-4-propanoyl-1H-pyrrole-2-carboxylate
MOLECULAR FORMULA: C12H17NO3
MOLECULAR WEIGHT: 223.26828
SMILES: CCC(=O)C1=C(NC(=C1C)C(=O)OCC)C
Structure:

CAS RN: 40480-63-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H10
MOLECULAR WEIGHT: 178.2292
SMILES: C1=CC2=C3C(=C1)C4C5C4C5C3=CC=C2
Structure:

CAS RN: 40479-48-9
CAS Name: 2-[4-(2-ethoxy-2-oxoethyl)-1-piperazinyl]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[4-(2-ethoxy-2-oxo-ethyl)piperazin-1-yl]acetate
IUPAC Name: ethyl 2-[4-(2-ethoxy-2-oxoethyl)piperazin-1-yl]acetate
SYSTEMATIC NAME: ethyl 2-[4-(2-ethoxy-2-oxidanylidene-ethyl)piperazin-1-yl]ethanoate
MOLECULAR FORMULA: C12H22N2O4
MOLECULAR WEIGHT: 258.31408
SMILES: CCOC(=O)CN1CCN(CC1)CC(=O)OCC
Structure:

CAS RN: 40469-16-7
CAS Name: 3-methylcyclohex-4-ene-1,2-dicarboxylic acid
OPENEYE Name: 3-methylcyclohex-4-ene-1,2-dicarboxylic acid
IUPAC Name: 3-methylcyclohex-4-ene-1,2-dicarboxylic acid
SYSTEMATIC NAME: 3-methylcyclohex-4-ene-1,2-dicarboxylic acid
MOLECULAR FORMULA: C9H12O4
MOLECULAR WEIGHT: 184.18918
SMILES: CC1C=CCC(C1C(=O)O)C(=O)O
Structure:

CAS RN: 40438-64-0
CAS Name: 4-dicyclohexylphosphino-N,N-dimethylaniline
OPENEYE Name: 4-dicyclohexylphosphanyl-N,N-dimethyl-aniline
IUPAC Name: 4-dicyclohexylphosphanyl-N,N-dimethylaniline
SYSTEMATIC NAME: 4-dicyclohexylphosphanyl-N,N-dimethyl-aniline
MOLECULAR FORMULA: C20H32NP
MOLECULAR WEIGHT: 317.448541
SMILES: CN(C)C1=CC=C(C=C1)P(C2CCCCC2)C3CCCCC3
Structure:

CAS RN: 40438-63-9
CAS Name: dicyclohexyl-(4-methoxyphenyl)phosphine
OPENEYE Name: dicyclohexyl-(4-methoxyphenyl)phosphane
IUPAC Name: dicyclohexyl-(4-methoxyphenyl)phosphane
SYSTEMATIC NAME: dicyclohexyl-(4-methoxyphenyl)phosphane
MOLECULAR FORMULA: C19H29OP
MOLECULAR WEIGHT: 304.406721
SMILES: COC1=CC=C(C=C1)P(C2CCCCC2)C3CCCCC3
Structure:

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