Wednesday, August 3, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 1-chloro-1,2,2-trifluoro-1,2-dinitro-ethane
CAS Name: 1-chloro-1,2,2-trifluoro-1,2-dinitroethane
IUPAC NAME: 1-chloro-1,2,2-trifluoro-1,2-dinitroethane
SYSTEMATIC NAME: 1-chloranyl-1,2,2-tris(fluoranyl)-1,2-dinitro-ethane
MOLECULAR FORMULA: C2ClF3N2O4
MOLECULAR WEIGHT: 208.48061
SMILES: C(C([N+](=O)[O-])(F)Cl)([N+](=O)[O-])(F)F
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Product OPENEYE NAME: 2-chloro-1,1,2-trifluoro-1-methoxy-ethane
CAS Name: 2-chloro-1,1,2-trifluoro-1-methoxyethane
IUPAC NAME: 2-chloro-1,1,2-trifluoro-1-methoxyethane
SYSTEMATIC NAME: 2-chloranyl-1,1,2-tris(fluoranyl)-1-methoxy-ethane
MOLECULAR FORMULA: C3H4ClF3O
MOLECULAR WEIGHT: 148.51147
SMILES: COC(C(F)Cl)(F)F
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Product OPENEYE NAME: (6S,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
CAS Name: (6S,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
IUPAC NAME: (6S,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (6S,8S,9R,10S,11S,13S,14S,17R)-17-ethanoyl-9-fluoranyl-6,10,13-trimethyl-11,17-bis(oxidanyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C22H29FO4
MOLECULAR WEIGHT: 376.461663
SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@]2([C@@]4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)O
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Product OPENEYE NAME: 5-(4-chlorophenyl)-5-ethyl-hexahydropyrimidine-2,4,6-trione
CAS Name: 5-(4-chlorophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione
IUPAC NAME: 5-(4-chlorophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-(4-chlorophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C12H11ClN2O3
MOLECULAR WEIGHT: 266.68034
SMILES: CCC1(C(=O)NC(=O)NC1=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H29ClO4
MOLECULAR WEIGHT: 416.93766
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)Cl)C)OC(=O)C
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Product OPENEYE NAME: methyl 2,2-difluoro-2-nitro-acetate
CAS Name: 2,2-difluoro-2-nitroacetic acid methyl ester
IUPAC NAME: methyl 2,2-difluoro-2-nitroacetate
SYSTEMATIC NAME: methyl 2,2-bis(fluoranyl)-2-nitro-ethanoate
MOLECULAR FORMULA: C3H3F2NO4
MOLECULAR WEIGHT: 155.057026
SMILES: COC(=O)C([N+](=O)[O-])(F)F
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Product OPENEYE NAME: 3-(1-methyl-3-propyl-pyrrolidin-3-yl)phenol
CAS Name: 3-(1-methyl-3-propyl-3-pyrrolidinyl)phenol
IUPAC NAME: 3-(1-methyl-3-propylpyrrolidin-3-yl)phenol
SYSTEMATIC NAME: 3-(1-methyl-3-propyl-pyrrolidin-3-yl)phenol
MOLECULAR FORMULA: C14H21NO
MOLECULAR WEIGHT: 219.32264
SMILES: CCCC1(CCN(C1)C)C2=CC(=CC=C2)O
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Product OPENEYE NAME: 2,2,3-trifluoro-3-(trifluoromethyl)oxirane
CAS Name: 2,2,3-trifluoro-3-(trifluoromethyl)oxirane
IUPAC NAME: 2,2,3-trifluoro-3-(trifluoromethyl)oxirane
SYSTEMATIC NAME: 2,2,3-tris(fluoranyl)-3-(trifluoromethyl)oxirane
MOLECULAR FORMULA: C3F6O
MOLECULAR WEIGHT: 166.021919
SMILES: C1(C(O1)(F)F)(C(F)(F)F)F
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Product OPENEYE NAME: 2-chloro-1,1-difluoro-1-methoxy-ethane
CAS Name: 2-chloro-1,1-difluoro-1-methoxyethane
IUPAC NAME: 2-chloro-1,1-difluoro-1-methoxyethane
SYSTEMATIC NAME: 2-chloranyl-1,1-bis(fluoranyl)-1-methoxy-ethane
MOLECULAR FORMULA: C3H5ClF2O
MOLECULAR WEIGHT: 130.521006
SMILES: COC(CCl)(F)F
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Product OPENEYE NAME: tetraethylammonium hexafluorophosphate
CAS Name: tetraethylammonium hexafluorophosphate
IUPAC NAME: tetraethylazanium hexafluorophosphate
SYSTEMATIC NAME: tetraethylazanium hexafluorophosphate
MOLECULAR FORMULA: C8H20F6NP
MOLECULAR WEIGHT: 275.21528
SMILES: CC[N+](CC)(CC)CC.F[P-](F)(F)(F)(F)F
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Product OPENEYE NAME: hexafluorophosphate
CAS Name: hexafluorophosphate
IUPAC NAME: hexafluorophosphate
SYSTEMATIC NAME: hexafluorophosphate
MOLECULAR FORMULA: F6P-
MOLECULAR WEIGHT: 144.96418
SMILES: F[P-](F)(F)(F)(F)F
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Product OPENEYE NAME: triethyl(2-fluoroethyl)ammonium bromide
CAS Name: triethyl(2-fluoroethyl)ammonium bromide
IUPAC NAME: triethyl(2-fluoroethyl)azanium bromide
SYSTEMATIC NAME: triethyl(2-fluoranylethyl)azanium bromide
MOLECULAR FORMULA: C8H19BrFN
MOLECULAR WEIGHT: 228.145563
SMILES: CC[N+](CC)(CC)CCF.[Br-]
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Product OPENEYE NAME: triethyl(2-fluoroethyl)ammonium
CAS Name: triethyl(2-fluoroethyl)ammonium
IUPAC NAME: triethyl(2-fluoroethyl)azanium
SYSTEMATIC NAME: triethyl(2-fluoranylethyl)azanium
MOLECULAR FORMULA: C8H19FN+
MOLECULAR WEIGHT: 148.241563
SMILES: CC[N+](CC)(CC)CCF
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Product OPENEYE NAME: 1-fluoropropan-2-one
CAS Name: 1-fluoro-2-propanone
IUPAC NAME: 1-fluoropropan-2-one
SYSTEMATIC NAME: 1-fluoranylpropan-2-one
MOLECULAR FORMULA: C3H5FO
MOLECULAR WEIGHT: 76.069603
SMILES: CC(=O)CF
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Product OPENEYE NAME: 1,1,2-trifluoroethane
CAS Name: 1,1,2-trifluoroethane
IUPAC NAME: 1,1,2-trifluoroethane
SYSTEMATIC NAME: 1,1,2-tris(fluoranyl)ethane
MOLECULAR FORMULA: C2H3F3
MOLECULAR WEIGHT: 84.04043
SMILES: C(C(F)F)F
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