Tuesday, July 26, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 2,2,3,3-tetrafluoropropan-1-ol
CAS Name: 2,2,3,3-tetrafluoro-1-propanol
IUPAC NAME: 2,2,3,3-tetrafluoropropan-1-ol
SYSTEMATIC NAME: 2,2,3,3-tetrakis(fluoranyl)propan-1-ol
MOLECULAR FORMULA: C3H4F4O
MOLECULAR WEIGHT: 132.056873
SMILES: C(C(C(F)F)(F)F)O
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Product OPENEYE NAME: 2-methyl-2-nitro-propan-1-ol
CAS Name: 2-methyl-2-nitro-1-propanol
IUPAC NAME: 2-methyl-2-nitropropan-1-ol
SYSTEMATIC NAME: 2-methyl-2-nitro-propan-1-ol
MOLECULAR FORMULA: C4H9NO3
MOLECULAR WEIGHT: 119.11916
SMILES: CC(C)(CO)[N+](=O)[O-]
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Product OPENEYE NAME: 2,2,3-trichlorobutane-1,1-diol
CAS Name: 2,2,3-trichlorobutane-1,1-diol
IUPAC NAME: 2,2,3-trichlorobutane-1,1-diol
SYSTEMATIC NAME: 2,2,3-tris(chloranyl)butane-1,1-diol
MOLECULAR FORMULA: C4H7Cl3O2
MOLECULAR WEIGHT: 193.45618
SMILES: CC(C(C(O)O)(Cl)Cl)Cl
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H21NO4
MOLECULAR WEIGHT: 315.36364
SMILES: CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@@H]1CC5=C3C(=C(C=C5)OC)O4)O
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Product OPENEYE NAME: (8S,9R,10S,11S,13S,14S,17S)-9-fluoro-11,17-dihydroxy-10,13,17-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
CAS Name: (8S,9R,10S,11S,13S,14S,17S)-9-fluoro-11,17-dihydroxy-10,13,17-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
IUPAC NAME: (8S,9R,10S,11S,13S,14S,17S)-9-fluoro-11,17-dihydroxy-10,13,17-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9R,10S,11S,13S,14S,17S)-9-fluoranyl-10,13,17-trimethyl-11,17-bis(oxidanyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C20H29FO3
MOLECULAR WEIGHT: 336.440863
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3CC[C@]4(C)O)C)O)F
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H43NO9
MOLECULAR WEIGHT: 525.63162
SMILES: C[C@H]1CC[C@H]2[C@@](C3[C@H]([C@@H]([C@@]4(C(C3CN2C1)C[C@@]56C4[C@@H]([C@@H](C7[C@@]5(CC[C@@H]([C@]7(O6)O)O)C)O)O)O)O)O)(C)O
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Product OPENEYE NAME: (1,7,7-trimethylnorbornan-2-yl) acetate
CAS Name: acetic acid (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) ester
IUPAC NAME: (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) acetate
SYSTEMATIC NAME: (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) ethanoate
MOLECULAR FORMULA: C12H20O2
MOLECULAR WEIGHT: 196.286
SMILES: CC(=O)OC1CC2CCC1(C2(C)C)C
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Product OPENEYE NAME: 2-bromo-4-[3-(3-bromo-4-hydroxy-5-isopropyl-2-methyl-phenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-6-isopropyl-3-methyl-phenol
CAS Name: 2-bromo-4-[3-(3-bromo-4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-3-methyl-6-propan-2-ylphenol
IUPAC NAME: 2-bromo-4-[3-(3-bromo-4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-3-methyl-6-propan-2-ylphenol
SYSTEMATIC NAME: 2-bromanyl-4-[3-(3-bromanyl-2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)-1,1-bis(oxidanylidene)-2,1$l^{6}-benzoxathiol-3-yl]-3-methyl-6-propan-2-yl-phenol
MOLECULAR FORMULA: C27H28Br2O5S
MOLECULAR WEIGHT: 624.38122
SMILES: CC1=C(C(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4C)Br)O)C(C)C)C(C)C)O)Br
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Product OPENEYE NAME: 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methyl-phenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-3-methyl-phenol
CAS Name: 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-3-methylphenol
IUPAC NAME: 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-3-methylphenol
SYSTEMATIC NAME: 4-[3-[3,5-bis(bromanyl)-2-methyl-4-oxidanyl-phenyl]-1,1-bis(oxidanylidene)-2,1$l^{6}-benzoxathiol-3-yl]-2,6-bis(bromanyl)-3-methyl-phenol
MOLECULAR FORMULA: C21H14Br4O5S
MOLECULAR WEIGHT: 698.01386
SMILES: CC1=C(C(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4C)Br)O)Br)Br)O)Br
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Product OPENEYE NAME: allyl(triphenyl)stannane
CAS Name: triphenyl(prop-2-enyl)stannane
IUPAC NAME: triphenyl(prop-2-enyl)stannane
SYSTEMATIC NAME: triphenyl(prop-2-enyl)stannane
MOLECULAR FORMULA: C21H20Sn
MOLECULAR WEIGHT: 391.0935
SMILES: C=CC[Sn](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 3-[2-(diethylamino)ethyl]-3-phenyl-benzofuran-2-one
CAS Name: 3-[2-(diethylamino)ethyl]-3-phenyl-2-benzofuranone
IUPAC NAME: 3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one
SYSTEMATIC NAME: 3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one
MOLECULAR FORMULA: C20H23NO2
MOLECULAR WEIGHT: 309.40212
SMILES: CCN(CC)CCC1(C2=CC=CC=C2OC1=O)C3=CC=CC=C3
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Product OPENEYE NAME: 5-allyl-5-cyclopent-2-en-1-yl-hexahydropyrimidine-2,4,6-trione
CAS Name: 5-(1-cyclopent-2-enyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
IUPAC NAME: 5-cyclopent-2-en-1-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-cyclopent-2-en-1-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C12H14N2O3
MOLECULAR WEIGHT: 234.25116
SMILES: C=CCC1(C(=O)NC(=O)NC1=O)C2CCC=C2
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Product OPENEYE NAME: 5-ethyl-5-isopropyl-hexahydropyrimidine-2,4,6-trione
CAS Name: 5-ethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
IUPAC NAME: 5-ethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-ethyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C9H14N2O3
MOLECULAR WEIGHT: 198.21906
SMILES: CCC1(C(=O)NC(=O)NC1=O)C(C)C
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Product OPENEYE NAME: [chloro(diphenyl)methyl]benzene
CAS Name: [chloro(diphenyl)methyl]benzene
IUPAC NAME: [chloro(diphenyl)methyl]benzene
SYSTEMATIC NAME: [chloranyl(diphenyl)methyl]benzene
MOLECULAR FORMULA: C19H15Cl
MOLECULAR WEIGHT: 278.7754
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)Cl
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Product OPENEYE NAME: triphenylmethanol
CAS Name: triphenylmethanol
IUPAC NAME: triphenylmethanol
SYSTEMATIC NAME: triphenylmethanol
MOLECULAR FORMULA: C19H16O
MOLECULAR WEIGHT: 260.32974
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
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Product OPENEYE NAME: chloro(triphenyl)silane
CAS Name: chloro(triphenyl)silane
IUPAC NAME: chloro(triphenyl)silane
SYSTEMATIC NAME: chloranyl(triphenyl)silane
MOLECULAR FORMULA: C18H15ClSi
MOLECULAR WEIGHT: 294.8502
SMILES: C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)Cl
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Product OPENEYE NAME: triphenylstannane
CAS Name: triphenylstannane
IUPAC NAME: triphenylstannane
SYSTEMATIC NAME: triphenylstannane
MOLECULAR FORMULA: C18H16Sn
MOLECULAR WEIGHT: 351.02964
SMILES: C1=CC=C(C=C1)[SnH](C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: (1,1-dimethylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenyl-acetate bromide
CAS Name: 2-hydroxy-2,2-diphenylacetic acid (1,1-dimethyl-3-piperidin-1-iumyl) ester bromide
IUPAC NAME: (1,1-dimethylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate bromide
SYSTEMATIC NAME: (1,1-dimethylpiperidin-1-ium-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate bromide
MOLECULAR FORMULA: C21H26BrNO3
MOLECULAR WEIGHT: 420.34004
SMILES: C[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.[Br-]
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