Thursday, September 29, 2011

All Chemical Compounds Information




Product OPENEYE NAME: (4S,5S)-2,4,5-trifluoro-2-(trifluoromethyl)-1,3-dithiolane
CAS Name: (4S,5S)-2,4,5-trifluoro-2-(trifluoromethyl)-1,3-dithiolane
IUPAC NAME: (4S,5S)-2,4,5-trifluoro-2-(trifluoromethyl)-1,3-dithiolane
SYSTEMATIC NAME: (4S,5S)-2,4,5-tris(fluoranyl)-2-(trifluoromethyl)-1,3-dithiolane
MOLECULAR FORMULA: C4H2F6S2
MOLECULAR WEIGHT: 228.179099
SMILES: [C@H]1([C@H](SC(S1)(C(F)(F)F)F)F)F
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Product OPENEYE NAME: 1-(4-fluorophenyl)ethylideneammonium
CAS Name: 1-(4-fluorophenyl)ethylideneammonium
IUPAC NAME: 1-(4-fluorophenyl)ethylideneazanium
SYSTEMATIC NAME: 1-(4-fluorophenyl)ethylideneazanium
MOLECULAR FORMULA: C8H9FN+
MOLECULAR WEIGHT: 138.162163
SMILES: CC(=[NH2+])C1=CC=C(C=C1)F
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Product OPENEYE NAME: 1-(4-fluorophenyl)ethylideneoxonium
CAS Name: 1-(4-fluorophenyl)ethylideneoxonium
IUPAC NAME: 1-(4-fluorophenyl)ethylideneoxidanium
SYSTEMATIC NAME: 1-(4-fluorophenyl)ethylideneoxidanium
MOLECULAR FORMULA: C8H8FO+
MOLECULAR WEIGHT: 139.146923
SMILES: CC(=[OH+])C1=CC=C(C=C1)F
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Product OPENEYE NAME: 1-fluoro-4-(3-methylbut-1-ynyl)benzene
CAS Name: 1-fluoro-4-(3-methylbut-1-ynyl)benzene
IUPAC NAME: 1-fluoro-4-(3-methylbut-1-ynyl)benzene
SYSTEMATIC NAME: 1-fluoranyl-4-(3-methylbut-1-ynyl)benzene
MOLECULAR FORMULA: C11H10F+
MOLECULAR WEIGHT: 161.195503
SMILES: C[C+](C)C#CC1=CC=C(C=C1)F
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Product OPENEYE NAME: 1-fluoro-4-(1-methylethyl)benzene
CAS Name: 1-fluoro-4-propan-2-ylbenzene
IUPAC NAME: 1-fluoro-4-propan-2-ylbenzene
SYSTEMATIC NAME: 1-fluoranyl-4-propan-2-yl-benzene
MOLECULAR FORMULA: C9H10F+
MOLECULAR WEIGHT: 137.174103
SMILES: C[C+](C)C1=CC=C(C=C1)F
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Product OPENEYE NAME: 1-fluoro-4-(2,2,2-trifluoro-1-methyl-ethyl)benzene
CAS Name: 1-fluoro-4-(1,1,1-trifluoropropan-2-yl)benzene
IUPAC NAME: 1-fluoro-4-(1,1,1-trifluoropropan-2-yl)benzene
SYSTEMATIC NAME: 1-fluoranyl-4-[1,1,1-tris(fluoranyl)propan-2-yl]benzene
MOLECULAR FORMULA: C9H7F4+
MOLECULAR WEIGHT: 191.145493
SMILES: C[C+](C1=CC=C(C=C1)F)C(F)(F)F
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Product OPENEYE NAME: 4,5-difluoro-1,8-dimethyl-phenanthrene
CAS Name: 4,5-difluoro-1,8-dimethylphenanthrene
IUPAC NAME: 4,5-difluoro-1,8-dimethylphenanthrene
SYSTEMATIC NAME: 4,5-bis(fluoranyl)-1,8-dimethyl-phenanthrene
MOLECULAR FORMULA: C16H12F2
MOLECULAR WEIGHT: 242.263286
SMILES: CC1=C2C=CC3=C(C=CC(=C3C2=C(C=C1)F)F)C
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Product OPENEYE NAME: (9R,10S)-4,5-difluoro-1,8-dimethyl-9,10-dihydrophenanthrene-9,10-diol
CAS Name: (9R,10S)-4,5-difluoro-1,8-dimethyl-9,10-dihydrophenanthrene-9,10-diol
IUPAC NAME: (9R,10S)-4,5-difluoro-1,8-dimethyl-9,10-dihydrophenanthrene-9,10-diol
SYSTEMATIC NAME: (9R,10S)-4,5-bis(fluoranyl)-1,8-dimethyl-9,10-dihydrophenanthrene-9,10-diol
MOLECULAR FORMULA: C16H14F2O2
MOLECULAR WEIGHT: 276.277966
SMILES: CC1=C2[C@@H]([C@@H](C3=C(C=CC(=C3C2=C(C=C1)F)F)C)O)O
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Product OPENEYE NAME: 4-fluoro-1,5,8-trimethyl-phenanthrene
CAS Name: 4-fluoro-1,5,8-trimethylphenanthrene
IUPAC NAME: 4-fluoro-1,5,8-trimethylphenanthrene
SYSTEMATIC NAME: 4-fluoranyl-1,5,8-trimethyl-phenanthrene
MOLECULAR FORMULA: C17H15F
MOLECULAR WEIGHT: 238.299403
SMILES: CC1=C2C=CC3=C(C=CC(=C3C2=C(C=C1)C)F)C
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Product OPENEYE NAME: (9S,10R)-4-fluoro-1,5,8-trimethyl-9,10-dihydrophenanthrene-9,10-diol
CAS Name: (9S,10R)-4-fluoro-1,5,8-trimethyl-9,10-dihydrophenanthrene-9,10-diol
IUPAC NAME: (9S,10R)-4-fluoro-1,5,8-trimethyl-9,10-dihydrophenanthrene-9,10-diol
SYSTEMATIC NAME: (9S,10R)-4-fluoranyl-1,5,8-trimethyl-9,10-dihydrophenanthrene-9,10-diol
MOLECULAR FORMULA: C17H17FO2
MOLECULAR WEIGHT: 272.314083
SMILES: CC1=C2[C@@H]([C@@H](C3=C(C=CC(=C3C2=C(C=C1)C)F)C)O)O
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Product OPENEYE NAME: 4-fluoro-1,5,8-trimethyl-phenanthrene-9,10-dione
CAS Name: 4-fluoro-1,5,8-trimethylphenanthrene-9,10-dione
IUPAC NAME: 4-fluoro-1,5,8-trimethylphenanthrene-9,10-dione
SYSTEMATIC NAME: 4-fluoranyl-1,5,8-trimethyl-phenanthrene-9,10-dione
MOLECULAR FORMULA: C17H13FO2
MOLECULAR WEIGHT: 268.282323
SMILES: CC1=C2C(=C(C=C1)C)C(=O)C(=O)C3=C(C=CC(=C23)F)C
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Product OPENEYE NAME: 1-fluoro-4,8,11-trimethyl-benzo[d][2]benzoxepine-5,7-dione
CAS Name: 1-fluoro-4,8,11-trimethylbenzo[d][2]benzoxepin-5,7-dione
IUPAC NAME: 1-fluoro-4,8,11-trimethylbenzo[d][2]benzoxepine-5,7-dione
SYSTEMATIC NAME: 1-fluoranyl-4,8,11-trimethyl-benzo[d][2]benzoxepine-5,7-dione
MOLECULAR FORMULA: C17H13FO3
MOLECULAR WEIGHT: 284.281723
SMILES: CC1=C2C(=C(C=C1)C)C(=O)OC(=O)C3=C(C=CC(=C23)F)C
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Product OPENEYE NAME: 3-methyl-4-oxido-2-(trifluoromethyl)quinoxalin-1-ium 1-oxide
CAS Name: 3-methyl-4-oxido-2-(trifluoromethyl)quinoxalin-1-ium 1-oxide
IUPAC NAME: 3-methyl-4-oxido-2-(trifluoromethyl)quinoxalin-1-ium 1-oxide
SYSTEMATIC NAME: 3-methyl-4-oxidanidyl-2-(trifluoromethyl)quinoxalin-1-ium 1-oxide
MOLECULAR FORMULA: C10H7F3N2O2
MOLECULAR WEIGHT: 244.16999
SMILES: CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(F)(F)F
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Product OPENEYE NAME: 3-ethyl-4-oxido-2-(trifluoromethyl)quinoxalin-1-ium 1-oxide
CAS Name: 3-ethyl-4-oxido-2-(trifluoromethyl)quinoxalin-1-ium 1-oxide
IUPAC NAME: 3-ethyl-4-oxido-2-(trifluoromethyl)quinoxalin-1-ium 1-oxide
SYSTEMATIC NAME: 3-ethyl-4-oxidanidyl-2-(trifluoromethyl)quinoxalin-1-ium 1-oxide
MOLECULAR FORMULA: C11H9F3N2O2
MOLECULAR WEIGHT: 258.19657
SMILES: CCC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(F)(F)F
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Product OPENEYE NAME: 3-(bromomethyl)-4-oxido-2-(trifluoromethyl)quinoxalin-1-ium 1-oxide
CAS Name: 3-(bromomethyl)-4-oxido-2-(trifluoromethyl)quinoxalin-1-ium 1-oxide
IUPAC NAME: 3-(bromomethyl)-4-oxido-2-(trifluoromethyl)quinoxalin-1-ium 1-oxide
SYSTEMATIC NAME: 3-(bromomethyl)-4-oxidanidyl-2-(trifluoromethyl)quinoxalin-1-ium 1-oxide
MOLECULAR FORMULA: C10H6BrF3N2O2
MOLECULAR WEIGHT: 323.06605
SMILES: C1=CC=C2C(=C1)N(C(=C([N+]2=O)C(F)(F)F)CBr)[O-]
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Product OPENEYE NAME: 3-(methoxymethyl)-4-oxido-2-(trifluoromethyl)quinoxalin-1-ium 1-oxide
CAS Name: 3-(methoxymethyl)-4-oxido-2-(trifluoromethyl)quinoxalin-1-ium 1-oxide
IUPAC NAME: 3-(methoxymethyl)-4-oxido-2-(trifluoromethyl)quinoxalin-1-ium 1-oxide
SYSTEMATIC NAME: 3-(methoxymethyl)-4-oxidanidyl-2-(trifluoromethyl)quinoxalin-1-ium 1-oxide
MOLECULAR FORMULA: C11H9F3N2O3
MOLECULAR WEIGHT: 274.19597
SMILES: COCC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(F)(F)F
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Product OPENEYE NAME: [1-oxido-4-oxo-3-(trifluoromethyl)quinoxalin-4-ium-2-yl]methyl nitrate
CAS Name: nitric acid [1-oxido-4-oxo-3-(trifluoromethyl)-2-quinoxalin-4-iumyl]methyl ester
IUPAC NAME: [1-oxido-4-oxo-3-(trifluoromethyl)quinoxalin-4-ium-2-yl]methyl nitrate
SYSTEMATIC NAME: [1-oxidanidyl-4-oxidanylidene-3-(trifluoromethyl)quinoxalin-4-ium-2-yl]methyl nitrate
MOLECULAR FORMULA: C10H6F3N3O5
MOLECULAR WEIGHT: 305.16695
SMILES: C1=CC=C2C(=C1)N(C(=C([N+]2=O)C(F)(F)F)CO[N+](=O)[O-])[O-]
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Product OPENEYE NAME: 2-methyl-1-oxido-3-(trifluoromethyl)quinoxalin-1-ium
CAS Name: 2-methyl-1-oxido-3-(trifluoromethyl)quinoxalin-1-ium
IUPAC NAME: 2-methyl-1-oxido-3-(trifluoromethyl)quinoxalin-1-ium
SYSTEMATIC NAME: 2-methyl-1-oxidanidyl-3-(trifluoromethyl)quinoxalin-1-ium
MOLECULAR FORMULA: C10H7F3N2O
MOLECULAR WEIGHT: 228.17059
SMILES: CC1=[N+](C2=CC=CC=C2N=C1C(F)(F)F)[O-]
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Product OPENEYE NAME: 2-methyl-3-(trifluoromethyl)quinoxaline
CAS Name: 2-methyl-3-(trifluoromethyl)quinoxaline
IUPAC NAME: 2-methyl-3-(trifluoromethyl)quinoxaline
SYSTEMATIC NAME: 2-methyl-3-(trifluoromethyl)quinoxaline
MOLECULAR FORMULA: C10H7F3N2
MOLECULAR WEIGHT: 212.17119
SMILES: CC1=NC2=CC=CC=C2N=C1C(F)(F)F
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