Tuesday, August 2, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 2,2-dichloro-1,1,1-trifluoro-ethane
CAS Name: 2,2-dichloro-1,1,1-trifluoroethane
IUPAC NAME: 2,2-dichloro-1,1,1-trifluoroethane
SYSTEMATIC NAME: 2,2-bis(chloranyl)-1,1,1-tris(fluoranyl)ethane
MOLECULAR FORMULA: C2HCl2F3
MOLECULAR WEIGHT: 152.93055
SMILES: C(C(F)(F)F)(Cl)Cl
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Product OPENEYE NAME: 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluorodecalin
CAS Name: 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene
IUPAC NAME: 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene
SYSTEMATIC NAME: 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecakis(fluoranyl)naphthalene
MOLECULAR FORMULA: C10F18
MOLECULAR WEIGHT: 462.078258
SMILES: C12(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(C(C(C(C2(F)F)(F)F)(F)F)(F)F)F)F
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Product OPENEYE NAME: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane
CAS Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane
IUPAC NAME: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane
SYSTEMATIC NAME: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecakis(fluoranyl)octane
MOLECULAR FORMULA: C8F18
MOLECULAR WEIGHT: 438.056858
SMILES: C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
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Product OPENEYE NAME: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonyl fluoride
CAS Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonyl fluoride
IUPAC NAME: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonyl fluoride
SYSTEMATIC NAME: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octane-1-sulfonyl fluoride
MOLECULAR FORMULA: C8F18O2S
MOLECULAR WEIGHT: 502.120658
SMILES: C(C(C(C(C(F)(F)S(=O)(=O)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
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Product OPENEYE NAME: 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluoro-decane
CAS Name: 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heneicosafluorodecane
IUPAC NAME: 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane
SYSTEMATIC NAME: 1-bromanyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosakis(fluoranyl)decane
MOLECULAR FORMULA: C10BrF21
MOLECULAR WEIGHT: 598.977467
SMILES: C(C(C(C(C(C(F)(F)Br)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
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Product OPENEYE NAME: 1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)butane
CAS Name: 1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)butane
IUPAC NAME: 1,1,1,2,2,3,3,4,4-nonafluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)butane
SYSTEMATIC NAME: 1,1,1,2,2,3,3,4,4-nonakis(fluoranyl)-4-[1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butoxy]butane
MOLECULAR FORMULA: C8F18O
MOLECULAR WEIGHT: 454.056258
SMILES: C(C(C(F)(F)F)(F)F)(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
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Product OPENEYE NAME: benzyl-[3-[[4-[3-[benzyl(diethyl)ammonio]propylamino]-3,6-dioxo-cyclohexa-1,4-dien-1-yl]amino]propyl]-diethyl-ammonium dichloride
CAS Name: 3-[[4-[3-[diethyl-(phenylmethyl)ammonio]propylamino]-3,6-dioxo-1-cyclohexa-1,4-dienyl]amino]propyl-diethyl-(phenylmethyl)ammonium dichloride
IUPAC NAME: benzyl-[3-[[4-[3-[benzyl(diethyl)azaniumyl]propylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propyl]-diethylazanium dichloride
SYSTEMATIC NAME: 3-[[4-[3-[diethyl-(phenylmethyl)azaniumyl]propylamino]-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]amino]propyl-diethyl-(phenylmethyl)azanium dichloride
MOLECULAR FORMULA: C34H50Cl2N4O2
MOLECULAR WEIGHT: 617.6924
SMILES: CC[N+](CC)(CCCNC1=CC(=O)C(=CC1=O)NCCC[N+](CC)(CC)CC2=CC=CC=C2)CC3=CC=CC=C3.[Cl-].[Cl-]
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Product OPENEYE NAME: benzyl-[3-[[4-[3-[benzyl(diethyl)ammonio]propylamino]-3,6-dioxo-cyclohexa-1,4-dien-1-yl]amino]propyl]-diethyl-ammonium
CAS Name: 3-[[4-[3-[diethyl-(phenylmethyl)ammonio]propylamino]-3,6-dioxo-1-cyclohexa-1,4-dienyl]amino]propyl-diethyl-(phenylmethyl)ammonium
IUPAC NAME: benzyl-[3-[[4-[3-[benzyl(diethyl)azaniumyl]propylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propyl]-diethylazanium
SYSTEMATIC NAME: 3-[[4-[3-[diethyl-(phenylmethyl)azaniumyl]propylamino]-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]amino]propyl-diethyl-(phenylmethyl)azanium
MOLECULAR FORMULA: C34H50N4O2+2
MOLECULAR WEIGHT: 546.7864
SMILES: CC[N+](CC)(CCCNC1=CC(=O)C(=CC1=O)NCCC[N+](CC)(CC)CC2=CC=CC=C2)CC3=CC=CC=C3
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Product OPENEYE NAME: diethyl (4-nitrophenyl) phosphate
CAS Name: phosphoric acid diethyl (4-nitrophenyl) ester
IUPAC NAME: diethyl (4-nitrophenyl) phosphate
SYSTEMATIC NAME: diethyl (4-nitrophenyl) phosphate
MOLECULAR FORMULA: C10H14NO6P
MOLECULAR WEIGHT: 275.195021
SMILES: CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-]
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Product OPENEYE NAME: 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)butan-1-amine
CAS Name: 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1-butanamine
IUPAC NAME: 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)butan-1-amine
SYSTEMATIC NAME: 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)-N,N-bis[1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butyl]butan-1-amine
MOLECULAR FORMULA: C12F27N
MOLECULAR WEIGHT: 671.091986
SMILES: C(C(C(F)(F)F)(F)F)(C(N(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
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Product OPENEYE NAME: 1-fluoro-4-(4-fluoro-3-nitro-phenyl)sulfonyl-2-nitro-benzene
CAS Name: 1-fluoro-4-(4-fluoro-3-nitrophenyl)sulfonyl-2-nitrobenzene
IUPAC NAME: 1-fluoro-4-(4-fluoro-3-nitrophenyl)sulfonyl-2-nitrobenzene
SYSTEMATIC NAME: 1-fluoranyl-4-(4-fluoranyl-3-nitro-phenyl)sulfonyl-2-nitro-benzene
MOLECULAR FORMULA: C12H6F2N2O6S
MOLECULAR WEIGHT: 344.247646
SMILES: C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-])[N+](=O)[O-])F
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Product OPENEYE NAME: 2-[4-[4-(2-hydroxy-4,4-dimethyl-morpholin-4-ium-2-yl)phenyl]phenyl]-4,4-dimethyl-morpholin-4-ium-2-ol dibromide
CAS Name: 2-[4-[4-(2-hydroxy-4,4-dimethyl-2-morpholin-4-iumyl)phenyl]phenyl]-4,4-dimethyl-2-morpholin-4-iumol dibromide
IUPAC NAME: 2-[4-[4-(2-hydroxy-4,4-dimethylmorpholin-4-ium-2-yl)phenyl]phenyl]-4,4-dimethylmorpholin-4-ium-2-ol dibromide
SYSTEMATIC NAME: 2-[4-[4-(4,4-dimethyl-2-oxidanyl-morpholin-4-ium-2-yl)phenyl]phenyl]-4,4-dimethyl-morpholin-4-ium-2-ol dibromide
MOLECULAR FORMULA: C24H34Br2N2O4
MOLECULAR WEIGHT: 574.34576
SMILES: C[N+]1(CCOC(C1)(C2=CC=C(C=C2)C3=CC=C(C=C3)C4(C[N+](CCO4)(C)C)O)O)C.[Br-].[Br-]
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Product OPENEYE NAME: [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] dihydrogen phosphate
CAS Name: [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] dihydrogen phosphate
IUPAC NAME: [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] dihydrogen phosphate
SYSTEMATIC NAME: [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] dihydrogen phosphate
MOLECULAR FORMULA: C22H30FO8P
MOLECULAR WEIGHT: 472.440964
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COP(=O)(O)O)O)C)O)F)C
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