Thursday, April 25, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 4-(4-methoxyphenyl)-2-methyl-benzoic acid
CAS Name: 4-(4-methoxyphenyl)-2-methylbenzoic acid
IUPAC NAME: 4-(4-methoxyphenyl)-2-methylbenzoic acid
SYSTEMATIC NAME: 4-(4-methoxyphenyl)-2-methyl-benzoic acid
MOLECULAR FORMULA: C15H14O3
MOLECULAR WEIGHT: 242.26986
SMILES: CC1=C(C=CC(=C1)C2=CC=C(C=C2)OC)C(=O)O
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Product OPENEYE NAME: 4-(4-hydroxyphenyl)-2-methyl-benzonitrile
CAS Name: 4-(4-hydroxyphenyl)-2-methylbenzonitrile
IUPAC NAME: 4-(4-hydroxyphenyl)-2-methylbenzonitrile
SYSTEMATIC NAME: 4-(4-hydroxyphenyl)-2-methyl-benzenecarbonitrile
MOLECULAR FORMULA: C14H11NO
MOLECULAR WEIGHT: 209.24324
SMILES: CC1=C(C=CC(=C1)C2=CC=C(C=C2)O)C#N
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Product OPENEYE NAME: 1-cyclohexyl-3-(6-hydroxyhexyl)urea
CAS Name: 1-cyclohexyl-3-(6-hydroxyhexyl)urea
IUPAC NAME: 1-cyclohexyl-3-(6-hydroxyhexyl)urea
SYSTEMATIC NAME: 1-cyclohexyl-3-(6-oxidanylhexyl)urea
MOLECULAR FORMULA: C13H26N2O2
MOLECULAR WEIGHT: 242.35774
SMILES: C1CCC(CC1)NC(=O)NCCCCCCO
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Product OPENEYE NAME: S-(2-chloroethyl) 2-methylpropanethioate
CAS Name: 2-methylpropanethioic acid S-(2-chloroethyl) ester
IUPAC NAME: S-(2-chloroethyl) 2-methylpropanethioate
SYSTEMATIC NAME: S-(2-chloroethyl) 2-methylpropanethioate
MOLECULAR FORMULA: C6H11ClOS
MOLECULAR WEIGHT: 166.66894
SMILES: CC(C)C(=O)SCCCl
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Product OPENEYE NAME: 2,2-bis(diphenylphosphanyl)ethyl-(2-diphenylphosphanylethyl)-phenyl-phosphane
CAS Name: 2,2-bis(diphenylphosphino)ethyl-(2-diphenylphosphinoethyl)-phenylphosphine
IUPAC NAME: 2,2-bis(diphenylphosphanyl)ethyl-(2-diphenylphosphanylethyl)-phenylphosphane
SYSTEMATIC NAME: 2,2-bis(diphenylphosphanyl)ethyl-(2-diphenylphosphanylethyl)-phenyl-phosphane
MOLECULAR FORMULA: C46H42P4
MOLECULAR WEIGHT: 718.720724
SMILES: C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)CC(P(C4=CC=CC=C4)C5=CC=CC=C5)P(C6=CC=CC=C6)C7=CC=CC=C7
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Product OPENEYE NAME: bis[2,2-bis(diphenylphosphanyl)ethyl]-phenyl-phosphane
CAS Name: bis[2,2-bis(diphenylphosphino)ethyl]-phenylphosphine
IUPAC NAME: bis[2,2-bis(diphenylphosphanyl)ethyl]-phenylphosphane
SYSTEMATIC NAME: bis[2,2-bis(diphenylphosphanyl)ethyl]-phenyl-phosphane
MOLECULAR FORMULA: C58H51P5
MOLECULAR WEIGHT: 902.894345
SMILES: C1=CC=C(C=C1)P(CC(P(C2=CC=CC=C2)C3=CC=CC=C3)P(C4=CC=CC=C4)C5=CC=CC=C5)CC(P(C6=CC=CC=C6)C7=CC=CC=C7)P(C8=CC=CC=C8)C9=CC=CC=C9
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Product OPENEYE NAME: [2-[2,2-bis(diphenylphosphanyl)ethyl-phenyl-arsanyl]-1-diphenylphosphanyl-ethyl]-diphenyl-phosphane
CAS Name: [2-[2,2-bis(diphenylphosphino)ethyl-phenylarsino]-1-diphenylphosphinoethyl]-diphenylphosphine
IUPAC NAME: [2-[2,2-bis(diphenylphosphanyl)ethyl-phenylarsanyl]-1-diphenylphosphanylethyl]-diphenylphosphane
SYSTEMATIC NAME: [2-[2,2-bis(diphenylphosphanyl)ethyl-phenyl-arsanyl]-1-diphenylphosphanyl-ethyl]-diphenyl-phosphane
MOLECULAR FORMULA: C58H51AsP4
MOLECULAR WEIGHT: 946.842184
SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C(C[As](CC(P(C3=CC=CC=C3)C4=CC=CC=C4)P(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)P(C8=CC=CC=C8)C9=CC=CC=C9
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Product OPENEYE NAME: trimethyl-[(4-nitrophenyl)methyl]ammonium iodide
CAS Name: trimethyl-[(4-nitrophenyl)methyl]ammonium iodide
IUPAC NAME: trimethyl-[(4-nitrophenyl)methyl]azanium iodide
SYSTEMATIC NAME: trimethyl-[(4-nitrophenyl)methyl]azanium iodide
MOLECULAR FORMULA: C10H15IN2O2
MOLECULAR WEIGHT: 322.14277
SMILES: C[N+](C)(C)CC1=CC=C(C=C1)[N+](=O)[O-].[I-]
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Product OPENEYE NAME: bis(methylsulfonyl)methane
CAS Name: bis(methylsulfonyl)methane
IUPAC NAME: bis(methylsulfonyl)methane
SYSTEMATIC NAME: bis(methylsulfonyl)methane
MOLECULAR FORMULA: C3H7O4S2-
MOLECULAR WEIGHT: 171.21528
SMILES: CS(=O)(=O)[CH-]S(=O)(=O)C
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Product OPENEYE NAME: 1,3-dithiepane 1,1,3,3-tetraoxide
CAS Name: 1,3-dithiepane 1,1,3,3-tetraoxide
IUPAC NAME: 1,3-dithiepane 1,1,3,3-tetraoxide
SYSTEMATIC NAME: 1,3-dithiepane 1,1,3,3-tetraoxide
MOLECULAR FORMULA: C5H10O4S2
MOLECULAR WEIGHT: 198.2605
SMILES: C1CCS(=O)(=O)CS(=O)(=O)C1
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Product OPENEYE NAME: vinylsulfonylmethanesulfinic acid
CAS Name: ethenylsulfonylmethanesulfinic acid
IUPAC NAME: ethenylsulfonylmethanesulfinic acid
SYSTEMATIC NAME: ethenylsulfonylmethanesulfinic acid
MOLECULAR FORMULA: C3H6O4S2
MOLECULAR WEIGHT: 170.20734
SMILES: C=CS(=O)(=O)CS(=O)O
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Product OPENEYE NAME: 1-methoxy-2-methylsulfonyl-ethane
CAS Name: 1-methoxy-2-methylsulfonylethane
IUPAC NAME: 1-methoxy-2-methylsulfonylethane
SYSTEMATIC NAME: 1-methoxy-2-methylsulfonyl-ethane
MOLECULAR FORMULA: C4H10O3S
MOLECULAR WEIGHT: 138.1854
SMILES: COCCS(=O)(=O)C
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Product OPENEYE NAME: 4-methyl-1-methylsulfinyl-cyclohex-3-ene-1-carbonitrile
CAS Name: 4-methyl-1-methylsulfinyl-1-cyclohex-3-enecarbonitrile
IUPAC NAME: 4-methyl-1-methylsulfinylcyclohex-3-ene-1-carbonitrile
SYSTEMATIC NAME: 4-methyl-1-methylsulfinyl-cyclohex-3-ene-1-carbonitrile
MOLECULAR FORMULA: C9H13NOS
MOLECULAR WEIGHT: 183.27062
SMILES: CC1=CCC(CC1)(C#N)S(=O)C
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Product OPENEYE NAME: 3-methyl-1-methylsulfinyl-cyclohex-3-ene-1-carbonitrile
CAS Name: 3-methyl-1-methylsulfinyl-1-cyclohex-3-enecarbonitrile
IUPAC NAME: 3-methyl-1-methylsulfinylcyclohex-3-ene-1-carbonitrile
SYSTEMATIC NAME: 3-methyl-1-methylsulfinyl-cyclohex-3-ene-1-carbonitrile
MOLECULAR FORMULA: C9H13NOS
MOLECULAR WEIGHT: 183.27062
SMILES: CC1=CCCC(C1)(C#N)S(=O)C
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Product OPENEYE NAME: 4-methylcyclohexa-1,3-diene-1-carbonitrile
CAS Name: 4-methyl-1-cyclohexa-1,3-dienecarbonitrile
IUPAC NAME: 4-methylcyclohexa-1,3-diene-1-carbonitrile
SYSTEMATIC NAME: 4-methylcyclohexa-1,3-diene-1-carbonitrile
MOLECULAR FORMULA: C8H9N
MOLECULAR WEIGHT: 119.16376
SMILES: CC1=CC=C(CC1)C#N
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Product OPENEYE NAME: 3-methylcyclohexa-1,3-diene-1-carbonitrile
CAS Name: 3-methyl-1-cyclohexa-1,3-dienecarbonitrile
IUPAC NAME: 3-methylcyclohexa-1,3-diene-1-carbonitrile
SYSTEMATIC NAME: 3-methylcyclohexa-1,3-diene-1-carbonitrile
MOLECULAR FORMULA: C8H9N
MOLECULAR WEIGHT: 119.16376
SMILES: CC1=CCCC(=C1)C#N
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Product OPENEYE NAME: 1,3-bis(3-chlorophenyl)-2-thioxo-hexahydropyrimidine-4,6-dione
CAS Name: 1,3-bis(3-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
IUPAC NAME: 1,3-bis(3-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: 1,3-bis(3-chlorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C16H10Cl2N2O2S
MOLECULAR WEIGHT: 365.2338
SMILES: C1C(=O)N(C(=S)N(C1=O)C2=CC(=CC=C2)Cl)C3=CC(=CC=C3)Cl
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Product OPENEYE NAME: 5,7,7-trimethyl-1,3-diphenyl-2-thioxo-pyrano[2,3-d]pyrimidin-4-one
CAS Name: 5,7,7-trimethyl-1,3-diphenyl-2-sulfanylidene-4-pyrano[2,3-d]pyrimidinone
IUPAC NAME: 5,7,7-trimethyl-1,3-diphenyl-2-sulfanylidenepyrano[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 5,7,7-trimethyl-1,3-diphenyl-2-sulfanylidene-pyrano[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C22H20N2O2S
MOLECULAR WEIGHT: 376.4714
SMILES: CC1=CC(OC2=C1C(=O)N(C(=S)N2C3=CC=CC=C3)C4=CC=CC=C4)(C)C
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Product OPENEYE NAME: 5,7,7-trimethyl-1,3-bis(o-tolyl)-2-thioxo-pyrano[2,3-d]pyrimidin-4-one
CAS Name: 5,7,7-trimethyl-1,3-bis(2-methylphenyl)-2-sulfanylidene-4-pyrano[2,3-d]pyrimidinone
IUPAC NAME: 5,7,7-trimethyl-1,3-bis(2-methylphenyl)-2-sulfanylidenepyrano[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 5,7,7-trimethyl-1,3-bis(2-methylphenyl)-2-sulfanylidene-pyrano[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C24H24N2O2S
MOLECULAR WEIGHT: 404.52456
SMILES: CC1=CC=CC=C1N2C3=C(C(=CC(O3)(C)C)C)C(=O)N(C2=S)C4=CC=CC=C4C
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Product OPENEYE NAME: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenyl-ethanone oxime
CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethanone oxime
IUPAC NAME: (NE)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethylidene]hydroxylamine
SYSTEMATIC NAME: (NE)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenyl-ethylidene]hydroxylamine
MOLECULAR FORMULA: C17H18N2O
MOLECULAR WEIGHT: 266.33762
SMILES: C1CN(CC2=CC=CC=C21)C/C(=N/O)/C3=CC=CC=C3
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Product OPENEYE NAME: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenyl-ethanone oxime
CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethanone oxime
IUPAC NAME: (NZ)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethylidene]hydroxylamine
SYSTEMATIC NAME: (NZ)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenyl-ethylidene]hydroxylamine
MOLECULAR FORMULA: C17H18N2O
MOLECULAR WEIGHT: 266.33762
SMILES: C1CN(CC2=CC=CC=C21)C/C(=N\O)/C3=CC=CC=C3
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Product OPENEYE NAME: 2-hydroxy-4-methylene-cyclohexa-2,5-dien-1-one
CAS Name: 2-hydroxy-4-methylene-1-cyclohexa-2,5-dienone
IUPAC NAME: 2-hydroxy-4-methylidenecyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-methylidene-2-oxidanyl-cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C7H6O2
MOLECULAR WEIGHT: 122.12134
SMILES: C=C1C=CC(=O)C(=C1)O
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Product OPENEYE NAME: 1-(3-heptylcyclobuten-1-yl)ethanone
CAS Name: 1-(3-heptyl-1-cyclobutenyl)ethanone
IUPAC NAME: 1-(3-heptylcyclobuten-1-yl)ethanone
SYSTEMATIC NAME: 1-(3-heptylcyclobuten-1-yl)ethanone
MOLECULAR FORMULA: C13H22O
MOLECULAR WEIGHT: 194.31318
SMILES: CCCCCCCC1CC(=C1)C(=O)C
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