Monday, January 2, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 3-(aminomethyl)-5-[(tert-butoxycarbonylamino)methyl]benzoic acid
CAS Name: 3-(aminomethyl)-5-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]benzoic acid
IUPAC NAME: 3-(aminomethyl)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid
SYSTEMATIC NAME: 3-(aminomethyl)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid
MOLECULAR FORMULA: C14H20N2O4
MOLECULAR WEIGHT: 280.3196
SMILES: CC(C)(C)OC(=O)NCC1=CC(=CC(=C1)CN)C(=O)O
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Product OPENEYE NAME: (1R,2R)-N2-[(2S)-2-amino-3-phenyl-propyl]-N1-ethyl-cyclohexane-1,2-diamine
CAS Name: (1R,2R)-N2-[(2S)-2-amino-3-phenylpropyl]-N1-ethylcyclohexane-1,2-diamine
IUPAC NAME: (1R,2R)-2-N-[(2S)-2-amino-3-phenylpropyl]-1-N-ethylcyclohexane-1,2-diamine
SYSTEMATIC NAME: (1R,2R)-N2-[(2S)-2-azanyl-3-phenyl-propyl]-N1-ethyl-cyclohexane-1,2-diamine
MOLECULAR FORMULA: C17H29N3
MOLECULAR WEIGHT: 275.43226
SMILES: CCN[C@@H]1CCCC[C@H]1NC[C@H](CC2=CC=CC=C2)N
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Product OPENEYE NAME: N-(2-isopropenylphenyl)-N-[(E)-prop-1-enyl]methanesulfonamide
CAS Name: N-[2-(1-methylethenyl)phenyl]-N-[(E)-prop-1-enyl]methanesulfonamide
IUPAC NAME: N-[(E)-prop-1-enyl]-N-(2-prop-1-en-2-ylphenyl)methanesulfonamide
SYSTEMATIC NAME: N-[(E)-prop-1-enyl]-N-(2-prop-1-en-2-ylphenyl)methanesulfonamide
MOLECULAR FORMULA: C13H17NO2S
MOLECULAR WEIGHT: 251.34458
SMILES: C/C=C/N(C1=CC=CC=C1C(=C)C)S(=O)(=O)C
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Product OPENEYE NAME: methyl N-(2-isopropenylphenyl)-N-[(E)-prop-1-enyl]carbamate
CAS Name: N-[2-(1-methylethenyl)phenyl]-N-[(E)-prop-1-enyl]carbamic acid methyl ester
IUPAC NAME: methyl N-[(E)-prop-1-enyl]-N-(2-prop-1-en-2-ylphenyl)carbamate
SYSTEMATIC NAME: methyl N-[(E)-prop-1-enyl]-N-(2-prop-1-en-2-ylphenyl)carbamate
MOLECULAR FORMULA: C14H17NO2
MOLECULAR WEIGHT: 231.29028
SMILES: C/C=C/N(C1=CC=CC=C1C(=C)C)C(=O)OC
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Product OPENEYE NAME: 2,2,2-trifluoro-N-(2-isopropenylphenyl)-N-[(E)-prop-1-enyl]acetamide
CAS Name: 2,2,2-trifluoro-N-[2-(1-methylethenyl)phenyl]-N-[(E)-prop-1-enyl]acetamide
IUPAC NAME: 2,2,2-trifluoro-N-[(E)-prop-1-enyl]-N-(2-prop-1-en-2-ylphenyl)acetamide
SYSTEMATIC NAME: 2,2,2-tris(fluoranyl)-N-[(E)-prop-1-enyl]-N-(2-prop-1-en-2-ylphenyl)ethanamide
MOLECULAR FORMULA: C14H14F3NO
MOLECULAR WEIGHT: 269.26227
SMILES: C/C=C/N(C1=CC=CC=C1C(=C)C)C(=O)C(F)(F)F
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Product OPENEYE NAME: N-[(E)-1-ethylprop-1-enyl]-4-methyl-N-(2-vinylphenyl)benzenesulfonamide
CAS Name: N-(2-ethenylphenyl)-4-methyl-N-[(E)-pent-2-en-3-yl]benzenesulfonamide
IUPAC NAME: N-(2-ethenylphenyl)-4-methyl-N-[(E)-pent-2-en-3-yl]benzenesulfonamide
SYSTEMATIC NAME: N-(2-ethenylphenyl)-4-methyl-N-[(E)-pent-2-en-3-yl]benzenesulfonamide
MOLECULAR FORMULA: C20H23NO2S
MOLECULAR WEIGHT: 341.46712
SMILES: CC/C(=C\C)/N(C1=CC=CC=C1C=C)S(=O)(=O)C2=CC=C(C=C2)C
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Product OPENEYE NAME: 4-methyl-N-[(E)-1-phenylprop-1-enyl]-N-(2-vinylphenyl)benzenesulfonamide
CAS Name: N-(2-ethenylphenyl)-4-methyl-N-[(E)-1-phenylprop-1-enyl]benzenesulfonamide
IUPAC NAME: N-(2-ethenylphenyl)-4-methyl-N-[(E)-1-phenylprop-1-enyl]benzenesulfonamide
SYSTEMATIC NAME: N-(2-ethenylphenyl)-4-methyl-N-[(E)-1-phenylprop-1-enyl]benzenesulfonamide
MOLECULAR FORMULA: C24H23NO2S
MOLECULAR WEIGHT: 389.50992
SMILES: C/C=C(\C1=CC=CC=C1)/N(C2=CC=CC=C2C=C)S(=O)(=O)C3=CC=C(C=C3)C
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Product OPENEYE NAME: N-(4-methoxy-2-vinyl-phenyl)-4-methyl-N-[(E)-1-methylprop-1-enyl]benzenesulfonamide
CAS Name: N-[(E)-but-2-en-2-yl]-N-(2-ethenyl-4-methoxyphenyl)-4-methylbenzenesulfonamide
IUPAC NAME: N-[(E)-but-2-en-2-yl]-N-(2-ethenyl-4-methoxyphenyl)-4-methylbenzenesulfonamide
SYSTEMATIC NAME: N-[(E)-but-2-en-2-yl]-N-(2-ethenyl-4-methoxy-phenyl)-4-methyl-benzenesulfonamide
MOLECULAR FORMULA: C20H23NO3S
MOLECULAR WEIGHT: 357.46652
SMILES: C/C=C(\C)/N(C1=C(C=C(C=C1)OC)C=C)S(=O)(=O)C2=CC=C(C=C2)C
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Product OPENEYE NAME: N-(5-methoxy-2-vinyl-phenyl)-4-methyl-N-[(E)-1-methylprop-1-enyl]benzenesulfonamide
CAS Name: N-[(E)-but-2-en-2-yl]-N-(2-ethenyl-5-methoxyphenyl)-4-methylbenzenesulfonamide
IUPAC NAME: N-[(E)-but-2-en-2-yl]-N-(2-ethenyl-5-methoxyphenyl)-4-methylbenzenesulfonamide
SYSTEMATIC NAME: N-[(E)-but-2-en-2-yl]-N-(2-ethenyl-5-methoxy-phenyl)-4-methyl-benzenesulfonamide
MOLECULAR FORMULA: C20H23NO3S
MOLECULAR WEIGHT: 357.46652
SMILES: C/C=C(\C)/N(C1=C(C=CC(=C1)OC)C=C)S(=O)(=O)C2=CC=C(C=C2)C
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Product OPENEYE NAME: N-(2-methoxy-6-vinyl-phenyl)-4-methyl-N-[(E)-1-methylprop-1-enyl]benzenesulfonamide
CAS Name: N-[(E)-but-2-en-2-yl]-N-(2-ethenyl-6-methoxyphenyl)-4-methylbenzenesulfonamide
IUPAC NAME: N-[(E)-but-2-en-2-yl]-N-(2-ethenyl-6-methoxyphenyl)-4-methylbenzenesulfonamide
SYSTEMATIC NAME: N-[(E)-but-2-en-2-yl]-N-(2-ethenyl-6-methoxy-phenyl)-4-methyl-benzenesulfonamide
MOLECULAR FORMULA: C20H23NO3S
MOLECULAR WEIGHT: 357.46652
SMILES: C/C=C(\C)/N(C1=C(C=CC=C1OC)C=C)S(=O)(=O)C2=CC=C(C=C2)C
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Product OPENEYE NAME: [(E)-4-cyanobut-3-enyl] 4-methylbenzenesulfonate
CAS Name: 4-methylbenzenesulfonic acid [(E)-4-cyanobut-3-enyl] ester
IUPAC NAME: [(E)-4-cyanobut-3-enyl] 4-methylbenzenesulfonate
SYSTEMATIC NAME: [(E)-4-cyanobut-3-enyl] 4-methylbenzenesulfonate
MOLECULAR FORMULA: C12H13NO3S
MOLECULAR WEIGHT: 251.30152
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC/C=C/C#N
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Product OPENEYE NAME: (4-cyano-3-hydroxy-butyl) 4-methylbenzenesulfonate
CAS Name: 4-methylbenzenesulfonic acid (4-cyano-3-hydroxybutyl) ester
IUPAC NAME: (4-cyano-3-hydroxybutyl) 4-methylbenzenesulfonate
SYSTEMATIC NAME: (4-cyano-3-oxidanyl-butyl) 4-methylbenzenesulfonate
MOLECULAR FORMULA: C12H15NO4S
MOLECULAR WEIGHT: 269.3168
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCC(CC#N)O
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Product OPENEYE NAME: triethyl-[methylsulfanyl-(5-methylsulfanyl-5-trimethylsilyl-tetrahydrofuran-2-yl)methyl]silane
CAS Name: triethyl-[(methylthio)-[5-(methylthio)-5-trimethylsilyl-2-oxolanyl]methyl]silane
IUPAC NAME: triethyl-[methylsulfanyl-(5-methylsulfanyl-5-trimethylsilyloxolan-2-yl)methyl]silane
SYSTEMATIC NAME: triethyl-[methylsulfanyl-(5-methylsulfanyl-5-trimethylsilyl-oxolan-2-yl)methyl]silane
MOLECULAR FORMULA: C16H36OS2Si2
MOLECULAR WEIGHT: 364.75744
SMILES: CC[Si](CC)(CC)C(C1CCC(O1)([Si](C)(C)C)SC)SC
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Product OPENEYE NAME: trimethyl-[5-[[methyl(diphenyl)silyl]-methylsulfanyl-methyl]-2-methylsulfanyl-tetrahydrofuran-2-yl]silane
CAS Name: trimethyl-[5-[[methyl(diphenyl)silyl]-(methylthio)methyl]-2-(methylthio)-2-oxolanyl]silane
IUPAC NAME: trimethyl-[5-[[methyl(diphenyl)silyl]-methylsulfanylmethyl]-2-methylsulfanyloxolan-2-yl]silane
SYSTEMATIC NAME: trimethyl-[5-[[methyl(diphenyl)silyl]-methylsulfanyl-methyl]-2-methylsulfanyl-oxolan-2-yl]silane
MOLECULAR FORMULA: C23H34OS2Si2
MOLECULAR WEIGHT: 446.81646
SMILES: C[Si](C)(C)C1(CCC(O1)C([Si](C)(C2=CC=CC=C2)C3=CC=CC=C3)SC)SC
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Product OPENEYE NAME: triethyl-[methylsulfonyl-(5-trimethylsilyl-2,3-dihydrofuran-2-yl)methyl]silane
CAS Name: triethyl-[methylsulfonyl-(5-trimethylsilyl-2,3-dihydrofuran-2-yl)methyl]silane
IUPAC NAME: triethyl-[methylsulfonyl-(5-trimethylsilyl-2,3-dihydrofuran-2-yl)methyl]silane
SYSTEMATIC NAME: triethyl-[methylsulfonyl-(5-trimethylsilyl-2,3-dihydrofuran-2-yl)methyl]silane
MOLECULAR FORMULA: C15H32O3SSi2
MOLECULAR WEIGHT: 348.64878
SMILES: CC[Si](CC)(CC)C(C1CC=C(O1)[Si](C)(C)C)S(=O)(=O)C
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Product OPENEYE NAME: [(E)-1,1-bis(methylsulfanyl)-5-phenyl-pent-4-enyl]-trimethyl-silane
CAS Name: [(E)-1,1-bis(methylthio)-5-phenylpent-4-enyl]-trimethylsilane
IUPAC NAME: [(E)-1,1-bis(methylsulfanyl)-5-phenylpent-4-enyl]-trimethylsilane
SYSTEMATIC NAME: [(E)-1,1-bis(methylsulfanyl)-5-phenyl-pent-4-enyl]-trimethyl-silane
MOLECULAR FORMULA: C16H26S2Si
MOLECULAR WEIGHT: 310.59314
SMILES: C[Si](C)(C)C(CC/C=C/C1=CC=CC=C1)(SC)SC
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Product OPENEYE NAME: 1,4-bis(phenylsulfanyl)-1-trimethylsilyl-butan-2-ol
CAS Name: 1,4-bis(phenylthio)-1-trimethylsilyl-2-butanol
IUPAC NAME: 1,4-bis(phenylsulfanyl)-1-trimethylsilylbutan-2-ol
SYSTEMATIC NAME: 1,4-bis(phenylsulfanyl)-1-trimethylsilyl-butan-2-ol
MOLECULAR FORMULA: C19H26OS2Si
MOLECULAR WEIGHT: 362.62464
SMILES: C[Si](C)(C)C(C(CCSC1=CC=CC=C1)O)SC2=CC=CC=C2
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Product OPENEYE NAME: dimethyl-phenyl-[3-phenylsulfanyl-1-(phenylsulfanylmethyl)propoxy]silane
CAS Name: 1,4-bis(phenylthio)butan-2-yloxy-dimethyl-phenylsilane
IUPAC NAME: 1,4-bis(phenylsulfanyl)butan-2-yloxy-dimethyl-phenylsilane
SYSTEMATIC NAME: 1,4-bis(phenylsulfanyl)butan-2-yloxy-dimethyl-phenyl-silane
MOLECULAR FORMULA: C24H28OS2Si
MOLECULAR WEIGHT: 424.69402
SMILES: C[Si](C)(C1=CC=CC=C1)OC(CCSC2=CC=CC=C2)CSC3=CC=CC=C3
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Product OPENEYE NAME: (2S,3S,4R,5E,7E)-3-[(4-methoxyphenyl)methoxy]-2,4,6-trimethyl-8-[(2S,4R,5S)-5-methyl-2-phenyl-1,3-dioxan-4-yl]octa-5,7-dien-1-ol
CAS Name: (2S,3S,4R,5E,7E)-3-[(4-methoxyphenyl)methoxy]-2,4,6-trimethyl-8-[(2S,4R,5S)-5-methyl-2-phenyl-1,3-dioxan-4-yl]-1-octa-5,7-dienol
IUPAC NAME: (2S,3S,4R,5E,7E)-3-[(4-methoxyphenyl)methoxy]-2,4,6-trimethyl-8-[(2S,4R,5S)-5-methyl-2-phenyl-1,3-dioxan-4-yl]octa-5,7-dien-1-ol
SYSTEMATIC NAME: (2S,3S,4R,5E,7E)-3-[(4-methoxyphenyl)methoxy]-2,4,6-trimethyl-8-[(2S,4R,5S)-5-methyl-2-phenyl-1,3-dioxan-4-yl]octa-5,7-dien-1-ol
MOLECULAR FORMULA: C30H40O5
MOLECULAR WEIGHT: 480.6356
SMILES: C[C@H]1CO[C@@H](O[C@@H]1/C=C/C(=C/[C@@H](C)[C@@H]([C@@H](C)CO)OCC2=CC=C(C=C2)OC)/C)C3=CC=CC=C3
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Product OPENEYE NAME: (2S,3R,4S,5E,7E)-3-[(4-methoxyphenyl)methoxy]-2,4,6-trimethyl-8-[(2S,4R,5S)-5-methyl-2-phenyl-1,3-dioxan-4-yl]octa-5,7-dien-1-ol
CAS Name: (2S,3R,4S,5E,7E)-3-[(4-methoxyphenyl)methoxy]-2,4,6-trimethyl-8-[(2S,4R,5S)-5-methyl-2-phenyl-1,3-dioxan-4-yl]-1-octa-5,7-dienol
IUPAC NAME: (2S,3R,4S,5E,7E)-3-[(4-methoxyphenyl)methoxy]-2,4,6-trimethyl-8-[(2S,4R,5S)-5-methyl-2-phenyl-1,3-dioxan-4-yl]octa-5,7-dien-1-ol
SYSTEMATIC NAME: (2S,3R,4S,5E,7E)-3-[(4-methoxyphenyl)methoxy]-2,4,6-trimethyl-8-[(2S,4R,5S)-5-methyl-2-phenyl-1,3-dioxan-4-yl]octa-5,7-dien-1-ol
MOLECULAR FORMULA: C30H40O5
MOLECULAR WEIGHT: 480.6356
SMILES: C[C@H]1CO[C@@H](O[C@@H]1/C=C/C(=C/[C@H](C)[C@H]([C@@H](C)CO)OCC2=CC=C(C=C2)OC)/C)C3=CC=CC=C3
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Product OPENEYE NAME: (2R,3S,4S,5E,7E)-3-[(4-methoxyphenyl)methoxy]-2,4,6-trimethyl-8-[(2S,4R,5S)-5-methyl-2-phenyl-1,3-dioxan-4-yl]octa-5,7-dien-1-ol
CAS Name: (2R,3S,4S,5E,7E)-3-[(4-methoxyphenyl)methoxy]-2,4,6-trimethyl-8-[(2S,4R,5S)-5-methyl-2-phenyl-1,3-dioxan-4-yl]-1-octa-5,7-dienol
IUPAC NAME: (2R,3S,4S,5E,7E)-3-[(4-methoxyphenyl)methoxy]-2,4,6-trimethyl-8-[(2S,4R,5S)-5-methyl-2-phenyl-1,3-dioxan-4-yl]octa-5,7-dien-1-ol
SYSTEMATIC NAME: (2R,3S,4S,5E,7E)-3-[(4-methoxyphenyl)methoxy]-2,4,6-trimethyl-8-[(2S,4R,5S)-5-methyl-2-phenyl-1,3-dioxan-4-yl]octa-5,7-dien-1-ol
MOLECULAR FORMULA: C30H40O5
MOLECULAR WEIGHT: 480.6356
SMILES: C[C@H]1CO[C@@H](O[C@@H]1/C=C/C(=C/[C@H](C)[C@@H]([C@H](C)CO)OCC2=CC=C(C=C2)OC)/C)C3=CC=CC=C3
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