Friday, August 26, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 1-tert-butyl-4-(2-chlorosulfinyloxycyclohexoxy)benzene
CAS Name: 1-tert-butyl-4-(2-chlorosulfinyloxycyclohexyl)oxybenzene
IUPAC NAME: 1-tert-butyl-4-(2-chlorosulfinyloxycyclohexyl)oxybenzene
SYSTEMATIC NAME: 1-tert-butyl-4-(2-chloranylsulfinyloxycyclohexyl)oxy-benzene
MOLECULAR FORMULA: C16H23ClO3S
MOLECULAR WEIGHT: 330.87002
SMILES: CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2OS(=O)Cl
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Product OPENEYE NAME: 1,1,1,2,3,3,4,4,5,5,6,6,7,8,8,8-hexadecafluoro-2,7-bis(trifluoromethyl)octane
CAS Name: 1,1,1,2,3,3,4,4,5,5,6,6,7,8,8,8-hexadecafluoro-2,7-bis(trifluoromethyl)octane
IUPAC NAME: 1,1,1,2,3,3,4,4,5,5,6,6,7,8,8,8-hexadecafluoro-2,7-bis(trifluoromethyl)octane
SYSTEMATIC NAME: 1,1,1,2,3,3,4,4,5,5,6,6,7,8,8,8-hexadecakis(fluoranyl)-2,7-bis(trifluoromethyl)octane
MOLECULAR FORMULA: C10F22
MOLECULAR WEIGHT: 538.07187
SMILES: C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)F
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Product OPENEYE NAME: decalin-4a-carboxylic acid
CAS Name: 2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-4a-carboxylic acid
IUPAC NAME: 2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-4a-carboxylic acid
SYSTEMATIC NAME: 2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-4a-carboxylic acid
MOLECULAR FORMULA: C11H18O2
MOLECULAR WEIGHT: 182.25942
SMILES: C1CCC2(CCCCC2C1)C(=O)O
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Product OPENEYE NAME: N,N-diethyl-4-(4-nitrophenyl)azo-aniline
CAS Name: N,N-diethyl-4-(4-nitrophenyl)azoaniline
IUPAC NAME: N,N-diethyl-4-[(4-nitrophenyl)diazenyl]aniline
SYSTEMATIC NAME: N,N-diethyl-4-[(4-nitrophenyl)diazenyl]aniline
MOLECULAR FORMULA: C16H18N4O2
MOLECULAR WEIGHT: 298.33972
SMILES: CCN(CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: 4-(3,4-dimethylphenyl)azo-N,N-dimethyl-aniline
CAS Name: 4-(3,4-dimethylphenyl)azo-N,N-dimethylaniline
IUPAC NAME: 4-[(3,4-dimethylphenyl)diazenyl]-N,N-dimethylaniline
SYSTEMATIC NAME: 4-[(3,4-dimethylphenyl)diazenyl]-N,N-dimethyl-aniline
MOLECULAR FORMULA: C16H19N3
MOLECULAR WEIGHT: 253.34216
SMILES: CC1=C(C=C(C=C1)N=NC2=CC=C(C=C2)N(C)C)C
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Product OPENEYE NAME: 4-acetamidobutanoic acid
CAS Name: 4-acetamidobutanoic acid
IUPAC NAME: 4-acetamidobutanoic acid
SYSTEMATIC NAME: 4-acetamidobutanoic acid
MOLECULAR FORMULA: C6H11NO3
MOLECULAR WEIGHT: 145.15644
SMILES: CC(=O)NCCCC(=O)O
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Product OPENEYE NAME: tridecyl hydrogen sulfate
CAS Name: sulfuric acid tridecyl ester
IUPAC NAME: tridecyl hydrogen sulfate
SYSTEMATIC NAME: tridecyl hydrogen sulfate
MOLECULAR FORMULA: C13H28O4S
MOLECULAR WEIGHT: 280.42402
SMILES: CCCCCCCCCCCCCOS(=O)(=O)O
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Product OPENEYE NAME: 1-dodecylpyridin-1-ium iodide
CAS Name: 1-dodecylpyridin-1-ium iodide
IUPAC NAME: 1-dodecylpyridin-1-ium iodide
SYSTEMATIC NAME: 1-dodecylpyridin-1-ium iodide
MOLECULAR FORMULA: C17H30IN
MOLECULAR WEIGHT: 375.33127
SMILES: CCCCCCCCCCCC[N+]1=CC=CC=C1.[I-]
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Product OPENEYE NAME: dimethoxy-methyl-phenyl-silane
CAS Name: dimethoxy-methyl-phenylsilane
IUPAC NAME: dimethoxy-methyl-phenylsilane
SYSTEMATIC NAME: dimethoxy-methyl-phenyl-silane
MOLECULAR FORMULA: C9H14O2Si
MOLECULAR WEIGHT: 182.29176
SMILES: CO[Si](C)(C1=CC=CC=C1)OC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H5NO5
MOLECULAR WEIGHT: 243.1718
SMILES: C1=CC2=CC(=CC3=C2C(=C1)C(=O)OC3=O)[N+](=O)[O-]
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Product OPENEYE NAME: 6-chloro-N4-ethyl-N2-[2-(trichloromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine
CAS Name: 6-chloro-N4-ethyl-N2-[2-(trichloromethylthio)ethyl]-1,3,5-triazine-2,4-diamine
IUPAC NAME: 6-chloro-4-N-ethyl-2-N-[2-(trichloromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-chloranyl-N4-ethyl-N2-[2-(trichloromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C8H11Cl4N5S
MOLECULAR WEIGHT: 351.08344
SMILES: CCNC1=NC(=NC(=N1)Cl)NCCSC(Cl)(Cl)Cl
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Product OPENEYE NAME: N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethyl-ethane-1,2-diamine
CAS Name: N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine
IUPAC NAME: N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine
SYSTEMATIC NAME: N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethyl-ethane-1,2-diamine
MOLECULAR FORMULA: C9H23N3
MOLECULAR WEIGHT: 173.29902
SMILES: CN(C)CCN(C)CCN(C)C
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Product OPENEYE NAME: 1,3,6-trimethylnaphthalene
CAS Name: 1,3,6-trimethylnaphthalene
IUPAC NAME: 1,3,6-trimethylnaphthalene
SYSTEMATIC NAME: 1,3,6-trimethylnaphthalene
MOLECULAR FORMULA: C13H14
MOLECULAR WEIGHT: 170.25026
SMILES: CC1=CC2=CC(=CC(=C2C=C1)C)C
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