Sunday, September 25, 2011

All Chemical Compounds Information




Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H12BrNO4
MOLECULAR WEIGHT: 290.11058
SMILES: CC1=NO[C@H]2[C@@]1([C@@H]3CC4([C@H]2O3)OCCO4)Br
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Product OPENEYE NAME: [(1S,4R)-3-chloro-4-hydroxy-4-methyl-cyclohexa-2,5-dien-1-yl] acetate
CAS Name: acetic acid [(1S,4R)-3-chloro-4-hydroxy-4-methyl-1-cyclohexa-2,5-dienyl] ester
IUPAC NAME: [(1S,4R)-3-chloro-4-hydroxy-4-methylcyclohexa-2,5-dien-1-yl] acetate
SYSTEMATIC NAME: [(1S,4R)-3-chloranyl-4-methyl-4-oxidanyl-cyclohexa-2,5-dien-1-yl] ethanoate
MOLECULAR FORMULA: C9H11ClO3
MOLECULAR WEIGHT: 202.63484
SMILES: CC(=O)O[C@H]1C=C[C@@](C(=C1)Cl)(C)O
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Product OPENEYE NAME: 1,2,4-trichloro-3-fluoro-benzene
CAS Name: 1,2,4-trichloro-3-fluorobenzene
IUPAC NAME: 1,2,4-trichloro-3-fluorobenzene
SYSTEMATIC NAME: 1,2,4-tris(chloranyl)-3-fluoranyl-benzene
MOLECULAR FORMULA: C6H2Cl3F
MOLECULAR WEIGHT: 199.437483
SMILES: C1=CC(=C(C(=C1Cl)F)Cl)Cl
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Product OPENEYE NAME: 1-fluoro-3-nitroso-benzene
CAS Name: 1-fluoro-3-nitrosobenzene
IUPAC NAME: 1-fluoro-3-nitrosobenzene
SYSTEMATIC NAME: 1-fluoranyl-3-nitroso-benzene
MOLECULAR FORMULA: C6H4FNO
MOLECULAR WEIGHT: 125.100463
SMILES: C1=CC(=CC(=C1)F)N=O
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Product OPENEYE NAME: N-(3-fluorophenyl)hydroxylamine
CAS Name: N-(3-fluorophenyl)hydroxylamine
IUPAC NAME: N-(3-fluorophenyl)hydroxylamine
SYSTEMATIC NAME: N-(3-fluorophenyl)hydroxylamine
MOLECULAR FORMULA: C6H6FNO
MOLECULAR WEIGHT: 127.116343
SMILES: C1=CC(=CC(=C1)F)NO
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Product OPENEYE NAME: difluoro-(3-fluorophenyl)-nitrido-$l^{6}-sulfane
CAS Name: difluoro-(3-fluorophenyl)-nitrilo-$l^{6}-sulfane
IUPAC NAME: azanylidyne-difluoro-(3-fluorophenyl)-$l^{6}-sulfane
SYSTEMATIC NAME: azanylidyne-bis(fluoranyl)-(3-fluorophenyl)-$l^{6}-sulfane
MOLECULAR FORMULA: C6H4F3NS
MOLECULAR WEIGHT: 179.16287
SMILES: C1=CC(=CC(=C1)S(#N)(F)F)F
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Product OPENEYE NAME: difluoro-(4-fluorophenyl)-nitrido-$l^{6}-sulfane
CAS Name: difluoro-(4-fluorophenyl)-nitrilo-$l^{6}-sulfane
IUPAC NAME: azanylidyne-difluoro-(4-fluorophenyl)-$l^{6}-sulfane
SYSTEMATIC NAME: azanylidyne-bis(fluoranyl)-(4-fluorophenyl)-$l^{6}-sulfane
MOLECULAR FORMULA: C6H4F3NS
MOLECULAR WEIGHT: 179.16287
SMILES: C1=CC(=CC=C1F)S(#N)(F)F
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Product OPENEYE NAME: 1,2,3,4-tetrachloro-5-fluoro-6-methyl-benzene
CAS Name: 1,2,3,4-tetrachloro-5-fluoro-6-methylbenzene
IUPAC NAME: 1,2,3,4-tetrachloro-5-fluoro-6-methylbenzene
SYSTEMATIC NAME: 1,2,3,4-tetrakis(chloranyl)-5-fluoranyl-6-methyl-benzene
MOLECULAR FORMULA: C7H3Cl4F
MOLECULAR WEIGHT: 247.909123
SMILES: CC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)F
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Product OPENEYE NAME: 1,2,3,5-tetrachloro-4-fluoro-6-methyl-benzene
CAS Name: 1,2,3,5-tetrachloro-4-fluoro-6-methylbenzene
IUPAC NAME: 1,2,3,5-tetrachloro-4-fluoro-6-methylbenzene
SYSTEMATIC NAME: 1,2,3,5-tetrakis(chloranyl)-4-fluoranyl-6-methyl-benzene
MOLECULAR FORMULA: C7H3Cl4F
MOLECULAR WEIGHT: 247.909123
SMILES: CC1=C(C(=C(C(=C1Cl)Cl)Cl)F)Cl
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Product OPENEYE NAME: 1,2,4,5-tetrachloro-3-fluoro-6-methyl-benzene
CAS Name: 1,2,4,5-tetrachloro-3-fluoro-6-methylbenzene
IUPAC NAME: 1,2,4,5-tetrachloro-3-fluoro-6-methylbenzene
SYSTEMATIC NAME: 1,2,4,5-tetrakis(chloranyl)-3-fluoranyl-6-methyl-benzene
MOLECULAR FORMULA: C7H3Cl4F
MOLECULAR WEIGHT: 247.909123
SMILES: CC1=C(C(=C(C(=C1Cl)Cl)F)Cl)Cl
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Product OPENEYE NAME: 2-(4-fluorophenyl)-1-nitro-guanidine
CAS Name: 2-(4-fluorophenyl)-1-nitroguanidine
IUPAC NAME: 2-(4-fluorophenyl)-1-nitroguanidine
SYSTEMATIC NAME: 2-(4-fluorophenyl)-1-nitro-guanidine
MOLECULAR FORMULA: C7H7FN4O2
MOLECULAR WEIGHT: 198.154483
SMILES: C1=CC(=CC=C1N=C(N)N[N+](=O)[O-])F
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Product OPENEYE NAME: 1-fluoro-3-methylsulfonyl-benzene
CAS Name: 1-fluoro-3-methylsulfonylbenzene
IUPAC NAME: 1-fluoro-3-methylsulfonylbenzene
SYSTEMATIC NAME: 1-fluoranyl-3-methylsulfonyl-benzene
MOLECULAR FORMULA: C7H7FO2S
MOLECULAR WEIGHT: 174.192683
SMILES: CS(=O)(=O)C1=CC=CC(=C1)F
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Product OPENEYE NAME: diaminomethylene-(3-fluorophenyl)ammonium
CAS Name: diaminomethylidene-(3-fluorophenyl)ammonium
IUPAC NAME: diaminomethylidene-(3-fluorophenyl)azanium
SYSTEMATIC NAME: bis(azanyl)methylidene-(3-fluorophenyl)azanium
MOLECULAR FORMULA: C7H9FN3+
MOLECULAR WEIGHT: 154.164863
SMILES: C1=CC(=CC(=C1)F)[NH+]=C(N)N
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Product OPENEYE NAME: 1-carbamoyl-3-(3-fluorophenyl)urea
CAS Name: 1-carbamoyl-3-(3-fluorophenyl)urea
IUPAC NAME: 1-carbamoyl-3-(3-fluorophenyl)urea
SYSTEMATIC NAME: 1-aminocarbonyl-3-(3-fluorophenyl)urea
MOLECULAR FORMULA: C8H8FN3O2
MOLECULAR WEIGHT: 197.166423
SMILES: C1=CC(=CC(=C1)F)NC(=O)NC(=O)N
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Product OPENEYE NAME: 1-carbamoyl-3-(4-fluorophenyl)urea
CAS Name: 1-carbamoyl-3-(4-fluorophenyl)urea
IUPAC NAME: 1-carbamoyl-3-(4-fluorophenyl)urea
SYSTEMATIC NAME: 1-aminocarbonyl-3-(4-fluorophenyl)urea
MOLECULAR FORMULA: C8H8FN3O2
MOLECULAR WEIGHT: 197.166423
SMILES: C1=CC(=CC=C1NC(=O)NC(=O)N)F
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Product OPENEYE NAME: dichloro-ethyl-(4-fluorophenyl)stannane
CAS Name: dichloro-ethyl-(4-fluorophenyl)stannane
IUPAC NAME: dichloro-ethyl-(4-fluorophenyl)stannane
SYSTEMATIC NAME: bis(chloranyl)-ethyl-(4-fluorophenyl)stannane
MOLECULAR FORMULA: C8H9Cl2FSn
MOLECULAR WEIGHT: 313.771463
SMILES: CC[Sn](C1=CC=C(C=C1)F)(Cl)Cl
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Product OPENEYE NAME: 1-(3-fluorophenyl)-3-methyl-urea
CAS Name: 1-(3-fluorophenyl)-3-methylurea
IUPAC NAME: 1-(3-fluorophenyl)-3-methylurea
SYSTEMATIC NAME: 1-(3-fluorophenyl)-3-methyl-urea
MOLECULAR FORMULA: C8H9FN2O
MOLECULAR WEIGHT: 168.168263
SMILES: CNC(=O)NC1=CC(=CC=C1)F
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Product OPENEYE NAME: diaminomethylene-[(3-fluorophenyl)methyl]ammonium
CAS Name: diaminomethylidene-[(3-fluorophenyl)methyl]ammonium
IUPAC NAME: diaminomethylidene-[(3-fluorophenyl)methyl]azanium
SYSTEMATIC NAME: bis(azanyl)methylidene-[(3-fluorophenyl)methyl]azanium
MOLECULAR FORMULA: C8H11FN3+
MOLECULAR WEIGHT: 168.191443
SMILES: C1=CC(=CC(=C1)F)C[NH+]=C(N)N
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Product OPENEYE NAME: 7-fluoroisochromane
CAS Name: 7-fluoro-3,4-dihydro-1H-2-benzopyran
IUPAC NAME: 7-fluoro-3,4-dihydro-1H-isochromene
SYSTEMATIC NAME: 7-fluoranyl-3,4-dihydro-1H-isochromene
MOLECULAR FORMULA: C9H9FO
MOLECULAR WEIGHT: 152.165563
SMILES: C1COCC2=C1C=CC(=C2)F
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Product OPENEYE NAME: [(4-fluorophenyl)-dimethyl-silyl] formate
CAS Name: formic acid [(4-fluorophenyl)-dimethylsilyl] ester
IUPAC NAME: [(4-fluorophenyl)-dimethylsilyl] formate
SYSTEMATIC NAME: [(4-fluorophenyl)-dimethyl-silyl] methanoate
MOLECULAR FORMULA: C9H11FO2Si
MOLECULAR WEIGHT: 198.266343
SMILES: C[Si](C)(C1=CC=C(C=C1)F)OC=O
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Product OPENEYE NAME: (3-fluorophenyl)-trimethyl-phosphonium
CAS Name: (3-fluorophenyl)-trimethylphosphonium
IUPAC NAME: (3-fluorophenyl)-trimethylphosphanium
SYSTEMATIC NAME: (3-fluorophenyl)-trimethyl-phosphanium
MOLECULAR FORMULA: C9H13FP+
MOLECULAR WEIGHT: 171.171684
SMILES: C[P+](C)(C)C1=CC=CC(=C1)F
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Product OPENEYE NAME: (4-fluorophenyl)-trimethyl-phosphonium
CAS Name: (4-fluorophenyl)-trimethylphosphonium
IUPAC NAME: (4-fluorophenyl)-trimethylphosphanium
SYSTEMATIC NAME: (4-fluorophenyl)-trimethyl-phosphanium
MOLECULAR FORMULA: C9H13FP+
MOLECULAR WEIGHT: 171.171684
SMILES: C[P+](C)(C)C1=CC=C(C=C1)F
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Product OPENEYE NAME: 1-bromo-6-fluoro-naphthalene
CAS Name: 1-bromo-6-fluoronaphthalene
IUPAC NAME: 1-bromo-6-fluoronaphthalene
SYSTEMATIC NAME: 1-bromanyl-6-fluoranyl-naphthalene
MOLECULAR FORMULA: C10H6BrF
MOLECULAR WEIGHT: 225.057043
SMILES: C1=CC2=C(C=CC(=C2)F)C(=C1)Br
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