Sunday, January 22, 2012

All Chemical Compounds Information




Product OPENEYE NAME: (1-methyl-2-phenyl-butyl) propanoate
CAS Name: propanoic acid 3-phenylpentan-2-yl ester
IUPAC NAME: 3-phenylpentan-2-yl propanoate
SYSTEMATIC NAME: 3-phenylpentan-2-yl propanoate
MOLECULAR FORMULA: C14H20O2
MOLECULAR WEIGHT: 220.3074
SMILES: CCC(C1=CC=CC=C1)C(C)OC(=O)CC
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Product OPENEYE NAME: 3-chloro-N-hexadecyl-5-methyl-aniline
CAS Name: 3-chloro-N-hexadecyl-5-methylaniline
IUPAC NAME: 3-chloro-N-hexadecyl-5-methylaniline
SYSTEMATIC NAME: 3-chloranyl-N-hexadecyl-5-methyl-aniline
MOLECULAR FORMULA: C23H40ClN
MOLECULAR WEIGHT: 366.0234
SMILES: CCCCCCCCCCCCCCCCNC1=CC(=CC(=C1)C)Cl
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Product OPENEYE NAME: norbornan-2-yl 2-methylprop-2-enoate
CAS Name: 2-methyl-2-propenoic acid 3-bicyclo[2.2.1]heptanyl ester
IUPAC NAME: 3-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 3-bicyclo[2.2.1]heptanyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C11H16O2
MOLECULAR WEIGHT: 180.24354
SMILES: CC(=C)C(=O)OC1CC2CCC1C2
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Product OPENEYE NAME: lithium methanolate
CAS Name: lithium methanolate
IUPAC NAME: lithium methanolate
SYSTEMATIC NAME: lithium methanolate
MOLECULAR FORMULA: CH3LiO
MOLECULAR WEIGHT: 37.97492
SMILES: [Li+].C[O-]
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Product OPENEYE NAME: [3-acetoxy-2-(triisopropylsilyloxymethyl)-3,4-dihydro-2H-pyran-4-yl] acetate
CAS Name: acetic acid [3-acetyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] ester
IUPAC NAME: [3-acetyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate
SYSTEMATIC NAME: [3-acetyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] ethanoate
MOLECULAR FORMULA: C19H34O6Si
MOLECULAR WEIGHT: 386.55516
SMILES: CC(C)[Si](C(C)C)(C(C)C)OCC1C(C(C=CO1)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: 2-fluoro-N-(2-hydroxy-1-methyl-2-phenyl-ethyl)-N-methyl-acetamide
CAS Name: 2-fluoro-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
IUPAC NAME: 2-fluoro-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
SYSTEMATIC NAME: 2-fluoranyl-N-methyl-N-(1-oxidanyl-1-phenyl-propan-2-yl)ethanamide
MOLECULAR FORMULA: C12H16FNO2
MOLECULAR WEIGHT: 225.259343
SMILES: CC(C(C1=CC=CC=C1)O)N(C)C(=O)CF
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Product OPENEYE NAME: bis(trimethylsilyl)azanide; lanthanum(3+)
CAS Name: bis(trimethylsilyl)azanide; lanthanum(3+)
IUPAC NAME: bis(trimethylsilyl)azanide; lanthanum(3+)
SYSTEMATIC NAME: bis(trimethylsilyl)azanide; lanthanum(3+)
MOLECULAR FORMULA: C18H54LaN3Si6
MOLECULAR WEIGHT: 620.05996
SMILES: C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.[La+3]
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Product OPENEYE NAME: 5-tert-butyl-2-methoxy-benzene-1,3-diamine
CAS Name: 5-tert-butyl-2-methoxybenzene-1,3-diamine
IUPAC NAME: 5-tert-butyl-2-methoxybenzene-1,3-diamine
SYSTEMATIC NAME: 5-tert-butyl-2-methoxy-benzene-1,3-diamine
MOLECULAR FORMULA: C11H18N2O
MOLECULAR WEIGHT: 194.27342
SMILES: CC(C)(C)C1=CC(=C(C(=C1)N)OC)N
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Product OPENEYE NAME: N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
CAS Name: N-[2-(1-cyclohexenyl)ethyl]-3-pyridinecarboxamide
IUPAC NAME: N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
SYSTEMATIC NAME: N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
MOLECULAR FORMULA: C14H18N2O
MOLECULAR WEIGHT: 230.30552
SMILES: C1CCC(=CC1)CCNC(=O)C2=CN=CC=C2
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Product OPENEYE NAME: 3-(2,4-dichlorophenyl)-N-[4-(4-fluorophenyl)thiazol-2-yl]prop-2-enamide
CAS Name: 3-(2,4-dichlorophenyl)-N-[4-(4-fluorophenyl)-2-thiazolyl]-2-propenamide
IUPAC NAME: 3-(2,4-dichlorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide
SYSTEMATIC NAME: 3-(2,4-dichlorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide
MOLECULAR FORMULA: C18H11Cl2FN2OS
MOLECULAR WEIGHT: 393.262143
SMILES: C1=CC(=CC=C1C2=CSC(=N2)NC(=O)C=CC3=C(C=C(C=C3)Cl)Cl)F
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Product OPENEYE NAME: 6-[(4-acetylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CAS Name: 6-[(4-acetylanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid
IUPAC NAME: 6-[(4-acetylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
SYSTEMATIC NAME: 6-[(4-ethanoylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
MOLECULAR FORMULA: C16H17NO4
MOLECULAR WEIGHT: 287.31048
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)C2CC=CCC2C(=O)O
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Product OPENEYE NAME: N-isopropylethanesulfonamide
CAS Name: N-propan-2-ylethanesulfonamide
IUPAC NAME: N-propan-2-ylethanesulfonamide
SYSTEMATIC NAME: N-propan-2-ylethanesulfonamide
MOLECULAR FORMULA: C5H13NO2S
MOLECULAR WEIGHT: 151.22722
SMILES: CCS(=O)(=O)NC(C)C
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Product OPENEYE NAME: N,N-dibutyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-nonanamide
CAS Name: N,N-dibutyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
IUPAC NAME: N,N-dibutyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
SYSTEMATIC NAME: N,N-dibutyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecakis(fluoranyl)nonanamide
MOLECULAR FORMULA: C17H18F17NO
MOLECULAR WEIGHT: 575.303774
SMILES: CCCCN(CCCC)C(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
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