Thursday, June 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-[4-[[2,4-bis(1,1-dimethylpropyl)phenoxy]-hexanoyl-amino]-5-chloro-2-hydroxy-phenyl]-2,3,4,5,6-pentafluoro-benzamide
CAS Name: N-[4-[[2,4-bis(2-methylbutan-2-yl)phenoxy]-(1-oxohexyl)amino]-5-chloro-2-hydroxyphenyl]-2,3,4,5,6-pentafluorobenzamide
IUPAC NAME: N-[4-[[2,4-bis(2-methylbutan-2-yl)phenoxy]-hexanoylamino]-5-chloro-2-hydroxyphenyl]-2,3,4,5,6-pentafluorobenzamide
SYSTEMATIC NAME: N-[4-[[2,4-bis(2-methylbutan-2-yl)phenoxy]-hexanoyl-amino]-5-chloranyl-2-oxidanyl-phenyl]-2,3,4,5,6-pentakis(fluoranyl)benzamide
MOLECULAR FORMULA: C35H40ClF5N2O4
MOLECULAR WEIGHT: 683.148116
SMILES: CCCCCC(=O)N(C1=CC(=C(C=C1Cl)NC(=O)C2=C(C(=C(C(=C2F)F)F)F)F)O)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC
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Product OPENEYE NAME: N-(5-chloro-2-hydroxy-4-nitro-phenyl)-2,3,4,5,6-pentafluoro-benzamide
CAS Name: N-(5-chloro-2-hydroxy-4-nitrophenyl)-2,3,4,5,6-pentafluorobenzamide
IUPAC NAME: N-(5-chloro-2-hydroxy-4-nitrophenyl)-2,3,4,5,6-pentafluorobenzamide
SYSTEMATIC NAME: N-(5-chloranyl-4-nitro-2-oxidanyl-phenyl)-2,3,4,5,6-pentakis(fluoranyl)benzamide
MOLECULAR FORMULA: C13H4ClF5N2O4
MOLECULAR WEIGHT: 382.626876
SMILES: C1=C(C(=CC(=C1Cl)[N+](=O)[O-])O)NC(=O)C2=C(C(=C(C(=C2F)F)F)F)F
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Product OPENEYE NAME: 2-(2,4-ditert-butylphenoxy)butanoyl chloride
CAS Name: 2-(2,4-ditert-butylphenoxy)butanoyl chloride
IUPAC NAME: 2-(2,4-ditert-butylphenoxy)butanoyl chloride
SYSTEMATIC NAME: 2-(2,4-ditert-butylphenoxy)butanoyl chloride
MOLECULAR FORMULA: C18H27ClO2
MOLECULAR WEIGHT: 310.85878
SMILES: CCC(C(=O)Cl)OC1=C(C=C(C=C1)C(C)(C)C)C(C)(C)C
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Product OPENEYE NAME: N-[4-[2-[4-(butylsulfonylamino)phenoxy]tetradecanoylamino]-5-chloro-2-hydroxy-phenyl]-2,3,4,5,6-pentafluoro-benzamide
CAS Name: N-[4-[[2-[4-(butylsulfonylamino)phenoxy]-1-oxotetradecyl]amino]-5-chloro-2-hydroxyphenyl]-2,3,4,5,6-pentafluorobenzamide
IUPAC NAME: N-[4-[2-[4-(butylsulfonylamino)phenoxy]tetradecanoylamino]-5-chloro-2-hydroxyphenyl]-2,3,4,5,6-pentafluorobenzamide
SYSTEMATIC NAME: N-[4-[2-[4-(butylsulfonylamino)phenoxy]tetradecanoylamino]-5-chloranyl-2-oxidanyl-phenyl]-2,3,4,5,6-pentakis(fluoranyl)benzamide
MOLECULAR FORMULA: C37H45ClF5N3O6S
MOLECULAR WEIGHT: 790.279716
SMILES: CCCCCCCCCCCCC(C(=O)NC1=CC(=C(C=C1Cl)NC(=O)C2=C(C(=C(C(=C2F)F)F)F)F)O)OC3=CC=C(C=C3)NS(=O)(=O)CCCC
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Product OPENEYE NAME: gold(3+); thiourea; trichloride; tricitrate
CAS Name: gold(3+); 2-hydroxypropane-1,2,3-tricarboxylate; thiourea; trichloride
IUPAC NAME: gold(3+); 2-hydroxypropane-1,2,3-tricarboxylate; thiourea; trichloride
SYSTEMATIC NAME: gold(3+); 2-oxidanylpropane-1,2,3-tricarboxylate; thiourea; trichloride
MOLECULAR FORMULA: C19H19Au4Cl3N2O21S
MOLECULAR WEIGHT: 1537.64516
SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(=S)(N)N.[Cl-].[Cl-].[Cl-].[Au+3].[Au+3].[Au+3].[Au+3]
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Product OPENEYE NAME: 1,3-dichloropropan-2-one; 4-methyl-2-(p-tolylsulfonylamino)pentanoic acid
CAS Name: 1,3-dichloro-2-propanone; 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid
IUPAC NAME: 1,3-dichloropropan-2-one; 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid
SYSTEMATIC NAME: 1,3-bis(chloranyl)propan-2-one; 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid
MOLECULAR FORMULA: C16H23Cl2NO5S
MOLECULAR WEIGHT: 412.32852
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)O.C(C(=O)CCl)Cl
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Product OPENEYE NAME: yttrium(3+) chlorate
CAS Name: yttrium(3+) chlorate
IUPAC NAME: yttrium(3+) chlorate
SYSTEMATIC NAME: yttrium(3+) chlorate
MOLECULAR FORMULA: ClO3Y+2
MOLECULAR WEIGHT: 172.35705
SMILES: [O-]Cl(=O)=O.[Y+3]
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Product OPENEYE NAME: ammonium yttrium(3+) carbonate
CAS Name: ammonium yttrium(3+) carbonate
IUPAC NAME: azanium yttrium(3+) carbonate
SYSTEMATIC NAME: azanium yttrium(3+) carbonate
MOLECULAR FORMULA: CH4NO3Y+2
MOLECULAR WEIGHT: 166.95321
SMILES: C(=O)([O-])[O-].[NH4+].[Y+3]
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Product OPENEYE NAME: propan-2-olate; thorium(4+)
CAS Name: 2-propanolate; thorium(4+)
IUPAC NAME: propan-2-olate; thorium(4+)
SYSTEMATIC NAME: propan-2-olate; thorium(4+)
MOLECULAR FORMULA: C12H28O4Th
MOLECULAR WEIGHT: 468.38642
SMILES: CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Th+4]
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Product OPENEYE NAME: butan-1-olate; thorium(4+)
CAS Name: 1-butanolate; thorium(4+)
IUPAC NAME: butan-1-olate; thorium(4+)
SYSTEMATIC NAME: butan-1-olate; thorium(4+)
MOLECULAR FORMULA: C16H36O4Th
MOLECULAR WEIGHT: 524.49274
SMILES: CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].[Th+4]
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Product OPENEYE NAME: methanolate; oxovanadium(2+)
CAS Name: methanolate; oxovanadium(2+)
IUPAC NAME: methanolate; oxovanadium(2+)
SYSTEMATIC NAME: methanolate; oxidanylidenevanadium(2+)
MOLECULAR FORMULA: C2H6O3V
MOLECULAR WEIGHT: 129.00874
SMILES: C[O-].C[O-].O=[V+2]
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Product OPENEYE NAME: [4-[2,3-bis[2,4-bis(1-phenylethyl)phenyl]-4-dihydroxyphosphanyloxy-5,6-bis(2-ethoxyethyl)phenyl]sulfanylphenyl] dihydrogen phosphite
CAS Name: [4-[[2,3-bis[2,4-bis(1-phenylethyl)phenyl]-4-dihydroxyphosphinooxy-5,6-bis(2-ethoxyethyl)phenyl]thio]phenyl] dihydrogen phosphite
IUPAC NAME: [4-[2,3-bis[2,4-bis(1-phenylethyl)phenyl]-4-dihydroxyphosphanyloxy-5,6-bis(2-ethoxyethyl)phenyl]sulfanylphenyl] dihydrogen phosphite
SYSTEMATIC NAME: [4-[4-bis(oxidanyl)phosphanyloxy-2,3-bis[2,4-bis(1-phenylethyl)phenyl]-5,6-bis(2-ethoxyethyl)phenyl]sulfanylphenyl] dihydrogen phosphite
MOLECULAR FORMULA: C64H68O8P2S
MOLECULAR WEIGHT: 1059.232442
SMILES: CCOCCC1=C(C(=C(C(=C1CCOCC)SC2=CC=C(C=C2)OP(O)O)C3=C(C=C(C=C3)C(C)C4=CC=CC=C4)C(C)C5=CC=CC=C5)C6=C(C=C(C=C6)C(C)C7=CC=CC=C7)C(C)C8=CC=CC=C8)OP(O)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C175H184O3
MOLECULAR WEIGHT: 2335.33166
SMILES: CC1=CC(=C(C=C1C(C2=CC(=C(C=C2C)O)C(C)(C)C)(C3=C(C=C(C=C3C(C)C4=CC=CC=C4)C(C)C5=CC=CC=C5)C)C(C6=C(C=C(C=C6C(C)C7=CC=CC=C7)C(C)C8=CC=CC=C8)C)(C9=C(C=C(C=C9C(C)C1=CC=CC=C1)C(C)C1=CC=CC=C1)C)C(C1=CC(=C(C=C1C)O)C(C)(C)C)(C1=C(C=C(C=C1C(C)C1=CC=CC=C1)C(C)C1=CC=
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C152H209N6O27P5
MOLECULAR WEIGHT: 2707.178665
SMILES: CC(C)CCCCCCCC(CCCCCCCC(C)C)(C(CCCCCCCC(C)C)(C1=CC=CC=C1)N2C(=O)N(C(=O)N(C2=O)C(C3=C(C=C(C=C3)C(C)C4=CC=CC=C4)C(C)C5=CC=CC=C5)(C6=C(C=C(C=C6)C(C)C7=CC=CC=C7)C(C)C8=CC=CC=C8)C(C9=C(C=C(C=C9)C(C)C1=CC=CC=C1)C(C)C1=CC=CC=C1)(C1=C(C=C(C=C1)C(C)C1=CC=CC=C1)C(C)
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C143H179N3O6
MOLECULAR WEIGHT: 2035.96786
SMILES: CC(C)CCCCCCCC(CCCCCCCC(C)C)(C(CCCCCCCC(C)C)(C1=CC=CC=C1)N2C(=O)N(C(=O)N(C2=O)C(C3=C(C=C(C=C3)C(C)C4=CC=CC=C4)C(C)C5=CC=CC=C5)(C6=C(C=C(C=C6)C(C)C7=CC=CC=C7)C(C)C8=CC=CC=C8)C(C9=C(C=C(C=C9)C(C)C1=CC=CC=C1)C(C)C1=CC=CC=C1)(C1=C(C=C(C=C1)C(C)C1=CC=CC=C1)C(C)
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Product OPENEYE NAME: 1,4-benzoquinone; phosphorous acid
CAS Name: cyclohexa-2,5-diene-1,4-dione; phosphorous acid
IUPAC NAME: cyclohexa-2,5-diene-1,4-dione; phosphorous acid
SYSTEMATIC NAME: cyclohexa-2,5-diene-1,4-dione; phosphorous acid
MOLECULAR FORMULA: C6H10O8P2
MOLECULAR WEIGHT: 272.086322
SMILES: C1=CC(=O)C=CC1=O.OP(O)O.OP(O)O
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Product OPENEYE NAME: benzene; 2-isopropyl-4-methyl-phenol
CAS Name: benzene; 4-methyl-2-propan-2-ylphenol
IUPAC NAME: benzene; 4-methyl-2-propan-2-ylphenol
SYSTEMATIC NAME: benzene; 4-methyl-2-propan-2-yl-phenol
MOLECULAR FORMULA: C16H20O
MOLECULAR WEIGHT: 228.3294
SMILES: CC1=CC(=C(C=C1)O)C(C)C.C1=CC=CC=C1
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Product OPENEYE NAME: 4-isopropyl-2-(5-isopropyl-2-methyl-phenoxy)-1-methyl-benzene
CAS Name: 1-methyl-2-(2-methyl-5-propan-2-ylphenoxy)-4-propan-2-ylbenzene
IUPAC NAME: 1-methyl-2-(2-methyl-5-propan-2-ylphenoxy)-4-propan-2-ylbenzene
SYSTEMATIC NAME: 1-methyl-2-(2-methyl-5-propan-2-yl-phenoxy)-4-propan-2-yl-benzene
MOLECULAR FORMULA: C20H26O
MOLECULAR WEIGHT: 282.41984
SMILES: CC1=C(C=C(C=C1)C(C)C)OC2=C(C=CC(=C2)C(C)C)C
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Product OPENEYE NAME: [3-[2,4-bis(1-phenylethyl)phenyl]-3-dihydroxyphosphanyloxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphite
CAS Name: [3-[2,4-bis(1-phenylethyl)phenyl]-3-dihydroxyphosphinooxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphite
IUPAC NAME: [3-[2,4-bis(1-phenylethyl)phenyl]-3-dihydroxyphosphanyloxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphite
SYSTEMATIC NAME: [3-bis(oxidanyl)phosphanyloxy-3-[2,4-bis(1-phenylethyl)phenyl]-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphite
MOLECULAR FORMULA: C27H34O8P2
MOLECULAR WEIGHT: 548.501582
SMILES: CC(C1=CC=CC=C1)C2=CC(=C(C=C2)C(C(CO)(CO)COP(O)O)OP(O)O)C(C)C3=CC=CC=C3
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C94H88O6P2
MOLECULAR WEIGHT: 1375.648442
SMILES: CC(C1=CC=CC=C1)C2=CC(=C(C=C2)C3=C(C(=C(C(=C3OP(O)O)C4=C(C=C(C=C4)C(C)C5=CC=CC=C5)C(C)C6=CC=CC=C6)C7=C(C=C(C=C7)C(C)C8=CC=CC=C8)C(C)C9=CC=CC=C9)OP(O)O)C1=C(C=C(C=C1)C(C)C1=CC=CC=C1)C(C)C1=CC=CC=C1)C(C)C1=CC=CC=C1
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Product OPENEYE NAME: (4-dihydroxyphosphanyloxyphenyl) dihydrogen phosphite
CAS Name: (4-dihydroxyphosphinooxyphenyl) dihydrogen phosphite
IUPAC NAME: (4-dihydroxyphosphanyloxyphenyl) dihydrogen phosphite
SYSTEMATIC NAME: [4-bis(oxidanyl)phosphanyloxyphenyl] dihydrogen phosphite
MOLECULAR FORMULA: C6H8O6P2
MOLECULAR WEIGHT: 238.071642
SMILES: C1=CC(=CC=C1OP(O)O)OP(O)O
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Product OPENEYE NAME: [3,3-bis[2,4-bis(1-phenylethyl)phenyl]-3-dihydroxyphosphanyloxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphite
CAS Name: [3,3-bis[2,4-bis(1-phenylethyl)phenyl]-3-dihydroxyphosphinooxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphite
IUPAC NAME: [3,3-bis[2,4-bis(1-phenylethyl)phenyl]-3-dihydroxyphosphanyloxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphite
SYSTEMATIC NAME: [3-bis(oxidanyl)phosphanyloxy-3,3-bis[2,4-bis(1-phenylethyl)phenyl]-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphite
MOLECULAR FORMULA: C49H54O8P2
MOLECULAR WEIGHT: 832.895782
SMILES: CC(C1=CC=CC=C1)C2=CC(=C(C=C2)C(C3=C(C=C(C=C3)C(C)C4=CC=CC=C4)C(C)C5=CC=CC=C5)(C(CO)(CO)COP(O)O)OP(O)O)C(C)C6=CC=CC=C6
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