Wednesday, August 7, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-(2-methylprop-2-enoyloxy)ethyl sulfate
CAS Name: 1-(2-methyl-1-oxoprop-2-enoxy)ethyl sulfate
IUPAC NAME: 1-(2-methylprop-2-enoyloxy)ethyl sulfate
SYSTEMATIC NAME: 1-(2-methylprop-2-enoyloxy)ethyl sulfate
MOLECULAR FORMULA: C6H9O6S-
MOLECULAR WEIGHT: 209.19706
SMILES: CC(OC(=O)C(=C)C)OS(=O)(=O)[O-]
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Product OPENEYE NAME: 1-sulfooxyethyl 2-methylprop-2-enoate
CAS Name: 2-methyl-2-propenoic acid 1-sulfooxyethyl ester
IUPAC NAME: 1-sulfooxyethyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 1-sulfooxyethyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C6H10O6S
MOLECULAR WEIGHT: 210.205
SMILES: CC(OC(=O)C(=C)C)OS(=O)(=O)O
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Product OPENEYE NAME: 2-vinylthiazol-3-ium
CAS Name: 2-ethenylthiazol-3-ium
IUPAC NAME: 2-ethenyl-1,3-thiazol-3-ium
SYSTEMATIC NAME: 2-ethenyl-1,3-thiazol-3-ium
MOLECULAR FORMULA: C5H6NS+
MOLECULAR WEIGHT: 112.17284
SMILES: C=CC1=[NH+]C=CS1
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Product OPENEYE NAME: 2-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-4H-xanthene-1,3,6,7,9-pentone
CAS Name: 2-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-4H-xanthene-1,3,6,7,9-pentone
IUPAC NAME: 2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-xanthene-1,3,6,7,9-pentone
SYSTEMATIC NAME: 2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4H-xanthene-1,3,6,7,9-pentone
MOLECULAR FORMULA: C19H16O11
MOLECULAR WEIGHT: 420.32374
SMILES: C1C(=O)C(C(=O)C2=C1OC3=CC(=O)C(=O)C=C3C2=O)C4C(C(C(C(O4)CO)O)O)O
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Product OPENEYE NAME: 1,1,1-trichlorobutane-2,3-dione
CAS Name: 1,1,1-trichlorobutane-2,3-dione
IUPAC NAME: 1,1,1-trichlorobutane-2,3-dione
SYSTEMATIC NAME: 1,1,1-tris(chloranyl)butane-2,3-dione
MOLECULAR FORMULA: C4H3Cl3O2
MOLECULAR WEIGHT: 189.42442
SMILES: CC(=O)C(=O)C(Cl)(Cl)Cl
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Product OPENEYE NAME: ethane; methyl N-[(E)-(3-chlorophenyl)methyleneamino]carbamate; propane; thiophosphate
CAS Name: N-[(E)-(3-chlorophenyl)methylideneamino]carbamic acid methyl ester; ethane; propane; thiophosphate
IUPAC NAME: ethane; methyl N-[(E)-(3-chlorophenyl)methylideneamino]carbamate; propane; thiophosphate
SYSTEMATIC NAME: ethane; methyl N-[(E)-(3-chlorophenyl)methylideneamino]carbamate; propane; thiophosphate
MOLECULAR FORMULA: C14H23ClN2O5PS-3
MOLECULAR WEIGHT: 397.834581
SMILES: CC.CCC.COC(=O)N/N=C/C1=CC(=CC=C1)Cl.[O-]P(=S)([O-])[O-]
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Product OPENEYE NAME: [(E)-[2-chloro-3-[ethoxy(propylsulfanyl)phosphoryl]oxy-phenyl]methyleneamino]urea
CAS Name: [(E)-[2-chloro-3-[ethoxy-(propylthio)phosphoryl]oxyphenyl]methylideneamino]urea
IUPAC NAME: [(E)-[2-chloro-3-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]methylideneamino]urea
SYSTEMATIC NAME: 1-[(E)-[2-chloranyl-3-[ethoxy(propylsulfanyl)phosphoryl]oxy-phenyl]methylideneamino]urea
MOLECULAR FORMULA: C13H19ClN3O4PS
MOLECULAR WEIGHT: 379.799421
SMILES: CCCSP(=O)(OCC)OC1=CC=CC(=C1Cl)/C=N/NC(=O)N
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Product OPENEYE NAME: (E)-[3,5-dibromo-4-[ethoxy(hydroxy)phosphinothioyl]oxy-phenyl]methylene-methoxy-phenyl-ammonium
CAS Name: (E)-[3,5-dibromo-4-[ethoxy(hydroxy)phosphinothioyl]oxyphenyl]methylidene-methoxy-phenylammonium
IUPAC NAME: (E)-[3,5-dibromo-4-[ethoxy(hydroxy)phosphinothioyl]oxyphenyl]methylidene-methoxy-phenylazanium
SYSTEMATIC NAME: (E)-[3,5-bis(bromanyl)-4-[ethoxy(oxidanyl)phosphinothioyl]oxy-phenyl]methylidene-methoxy-phenyl-azanium
MOLECULAR FORMULA: C16H17Br2NO4PS+
MOLECULAR WEIGHT: 510.157241
SMILES: CCOP(=S)(O)OC1=C(C=C(C=C1Br)/C=[N+](\C2=CC=CC=C2)/OC)Br
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Product OPENEYE NAME: [(E)-1-[2-[ethoxy(propylsulfanyl)phosphoryl]oxy-1-naphthyl]ethylideneamino]urea
CAS Name: [(E)-1-[2-[ethoxy-(propylthio)phosphoryl]oxy-1-naphthalenyl]ethylideneamino]urea
IUPAC NAME: [(E)-1-[2-[ethoxy(propylsulfanyl)phosphoryl]oxynaphthalen-1-yl]ethylideneamino]urea
SYSTEMATIC NAME: 1-[(E)-1-[2-[ethoxy(propylsulfanyl)phosphoryl]oxynaphthalen-1-yl]ethylideneamino]urea
MOLECULAR FORMULA: C18H24N3O4PS
MOLECULAR WEIGHT: 409.439621
SMILES: CCCSP(=O)(OCC)OC1=C(C2=CC=CC=C2C=C1)/C(=N/NC(=O)N)/C
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Product OPENEYE NAME: ethyl N-[(E)-1-[4-[butylsulfanyl(ethoxy)phosphoryl]oxy-3-chloro-phenyl]ethylideneamino]carbamate
CAS Name: N-[(E)-1-[4-[(butylthio)-ethoxyphosphoryl]oxy-3-chlorophenyl]ethylideneamino]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[(E)-1-[4-[butylsulfanyl(ethoxy)phosphoryl]oxy-3-chlorophenyl]ethylideneamino]carbamate
SYSTEMATIC NAME: ethyl N-[(E)-1-[4-[butylsulfanyl(ethoxy)phosphoryl]oxy-3-chloranyl-phenyl]ethylideneamino]carbamate
MOLECULAR FORMULA: C17H26ClN2O5PS
MOLECULAR WEIGHT: 436.890501
SMILES: CCCCSP(=O)(OCC)OC1=C(C=C(C=C1)/C(=N/NC(=O)OCC)/C)Cl
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Product OPENEYE NAME: [(E)-[4-[butylsulfanyl(ethoxy)phosphoryl]oxy-3,5-dichloro-phenyl]methyleneamino]urea
CAS Name: [(E)-[4-[(butylthio)-ethoxyphosphoryl]oxy-3,5-dichlorophenyl]methylideneamino]urea
IUPAC NAME: [(E)-[4-[butylsulfanyl(ethoxy)phosphoryl]oxy-3,5-dichlorophenyl]methylideneamino]urea
SYSTEMATIC NAME: 1-[(E)-[4-[butylsulfanyl(ethoxy)phosphoryl]oxy-3,5-bis(chloranyl)phenyl]methylideneamino]urea
MOLECULAR FORMULA: C14H20Cl2N3O4PS
MOLECULAR WEIGHT: 428.271061
SMILES: CCCCSP(=O)(OCC)OC1=C(C=C(C=C1Cl)/C=N/NC(=O)N)Cl
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Product OPENEYE NAME: [(E)-[2-[butylsulfanyl(ethoxy)phosphoryl]oxyphenyl]methyleneamino]urea
CAS Name: [(E)-[2-[(butylthio)-ethoxyphosphoryl]oxyphenyl]methylideneamino]urea
IUPAC NAME: [(E)-[2-[butylsulfanyl(ethoxy)phosphoryl]oxyphenyl]methylideneamino]urea
SYSTEMATIC NAME: 1-[(E)-[2-[butylsulfanyl(ethoxy)phosphoryl]oxyphenyl]methylideneamino]urea
MOLECULAR FORMULA: C14H22N3O4PS
MOLECULAR WEIGHT: 359.380941
SMILES: CCCCSP(=O)(OCC)OC1=CC=CC=C1/C=N/NC(=O)N
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Product OPENEYE NAME: [(E)-[3-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]methyleneamino]urea
CAS Name: [(E)-[3-[ethoxy-(propylthio)phosphoryl]oxyphenyl]methylideneamino]urea
IUPAC NAME: [(E)-[3-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]methylideneamino]urea
SYSTEMATIC NAME: 1-[(E)-[3-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]methylideneamino]urea
MOLECULAR FORMULA: C13H20N3O4PS
MOLECULAR WEIGHT: 345.354361
SMILES: CCCSP(=O)(OCC)OC1=CC=CC(=C1)/C=N/NC(=O)N
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Product OPENEYE NAME: [(E)-[2-[ethoxy(propylsulfanyl)phosphoryl]oxy-1-naphthyl]methyleneamino]urea
CAS Name: [(E)-[2-[ethoxy-(propylthio)phosphoryl]oxy-1-naphthalenyl]methylideneamino]urea
IUPAC NAME: [(E)-[2-[ethoxy(propylsulfanyl)phosphoryl]oxynaphthalen-1-yl]methylideneamino]urea
SYSTEMATIC NAME: 1-[(E)-[2-[ethoxy(propylsulfanyl)phosphoryl]oxynaphthalen-1-yl]methylideneamino]urea
MOLECULAR FORMULA: C17H22N3O4PS
MOLECULAR WEIGHT: 395.413041
SMILES: CCCSP(=O)(OCC)OC1=C(C2=CC=CC=C2C=C1)/C=N/NC(=O)N
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Product OPENEYE NAME: ethyl N-[(E)-1-[4-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]ethylideneamino]carbamate
CAS Name: N-[(E)-1-[4-[ethoxy-(propylthio)phosphoryl]oxyphenyl]ethylideneamino]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[(E)-1-[4-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]ethylideneamino]carbamate
SYSTEMATIC NAME: ethyl N-[(E)-1-[4-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]ethylideneamino]carbamate
MOLECULAR FORMULA: C16H25N2O5PS
MOLECULAR WEIGHT: 388.418861
SMILES: CCCSP(=O)(OCC)OC1=CC=C(C=C1)/C(=N/NC(=O)OCC)/C
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Product OPENEYE NAME: 2-[[4-[butylsulfanyl(ethoxy)phosphoryl]oxyphenyl]methylene]propanedinitrile
CAS Name: 2-[[4-[(butylthio)-ethoxyphosphoryl]oxyphenyl]methylidene]propanedinitrile
IUPAC NAME: 2-[[4-[butylsulfanyl(ethoxy)phosphoryl]oxyphenyl]methylidene]propanedinitrile
SYSTEMATIC NAME: 2-[[4-[butylsulfanyl(ethoxy)phosphoryl]oxyphenyl]methylidene]propanedinitrile
MOLECULAR FORMULA: C16H19N2O3PS
MOLECULAR WEIGHT: 350.372421
SMILES: CCCCSP(=O)(OCC)OC1=CC=C(C=C1)C=C(C#N)C#N
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Product OPENEYE NAME: [(E)-[2-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]methyleneamino]thiourea
CAS Name: [(E)-[2-[ethoxy-(propylthio)phosphoryl]oxyphenyl]methylideneamino]thiourea
IUPAC NAME: [(E)-[2-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]methylideneamino]thiourea
SYSTEMATIC NAME: 1-[(E)-[2-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]methylideneamino]thiourea
MOLECULAR FORMULA: C13H20N3O3PS2
MOLECULAR WEIGHT: 361.419961
SMILES: CCCSP(=O)(OCC)OC1=CC=CC=C1/C=N/NC(=S)N
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Product OPENEYE NAME: [(E)-[4-[ethoxy(propylsulfanyl)phosphinothioyl]oxyphenyl]methyleneamino]thiourea
CAS Name: [(E)-[4-[ethoxy-(propylthio)phosphinothioyl]oxyphenyl]methylideneamino]thiourea
IUPAC NAME: [(E)-[4-[ethoxy(propylsulfanyl)phosphinothioyl]oxyphenyl]methylideneamino]thiourea
SYSTEMATIC NAME: 1-[(E)-[4-[ethoxy(propylsulfanyl)phosphinothioyl]oxyphenyl]methylideneamino]thiourea
MOLECULAR FORMULA: C13H20N3O2PS3
MOLECULAR WEIGHT: 377.485561
SMILES: CCCSP(=S)(OCC)OC1=CC=C(C=C1)/C=N/NC(=S)N
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Product OPENEYE NAME: [(E)-[4-chloro-2-[ethoxy(propylsulfanyl)phosphoryl]oxy-1-naphthyl]methyleneamino]urea
CAS Name: [(E)-[4-chloro-2-[ethoxy-(propylthio)phosphoryl]oxy-1-naphthalenyl]methylideneamino]urea
IUPAC NAME: [(E)-[4-chloro-2-[ethoxy(propylsulfanyl)phosphoryl]oxynaphthalen-1-yl]methylideneamino]urea
SYSTEMATIC NAME: 1-[(E)-[4-chloranyl-2-[ethoxy(propylsulfanyl)phosphoryl]oxy-naphthalen-1-yl]methylideneamino]urea
MOLECULAR FORMULA: C17H21ClN3O4PS
MOLECULAR WEIGHT: 429.858101
SMILES: CCCSP(=O)(OCC)OC1=C(C2=CC=CC=C2C(=C1)Cl)/C=N/NC(=O)N
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Product OPENEYE NAME: ethane; N-methoxy-1-phenyl-methanimine; propane; thiophosphate
CAS Name: ethane; N-methoxy-1-phenylmethanimine; propane; thiophosphate
IUPAC NAME: ethane; N-methoxy-1-phenylmethanimine; propane; thiophosphate
SYSTEMATIC NAME: ethane; N-methoxy-1-phenyl-methanimine; propane; thiophosphate
MOLECULAR FORMULA: C13H23NO4PS-3
MOLECULAR WEIGHT: 320.364781
SMILES: CC.CCC.CO/N=C/C1=CC=CC=C1.[O-]P(=S)([O-])[O-]
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Product OPENEYE NAME: [(E)-[2,4-dichloro-3-[ethoxy(propylsulfanyl)phosphoryl]oxy-phenyl]methyleneamino]urea
CAS Name: [(E)-[2,4-dichloro-3-[ethoxy-(propylthio)phosphoryl]oxyphenyl]methylideneamino]urea
IUPAC NAME: [(E)-[2,4-dichloro-3-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]methylideneamino]urea
SYSTEMATIC NAME: 1-[(E)-[2,4-bis(chloranyl)-3-[ethoxy(propylsulfanyl)phosphoryl]oxy-phenyl]methylideneamino]urea
MOLECULAR FORMULA: C13H18Cl2N3O4PS
MOLECULAR WEIGHT: 414.244481
SMILES: CCCSP(=O)(OCC)OC1=C(C=CC(=C1Cl)/C=N/NC(=O)N)Cl
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Product OPENEYE NAME: [(E)-[2-[ethoxy(propylsulfanyl)phosphoryl]oxy-1-naphthyl]methyleneamino]thiourea
CAS Name: [(E)-[2-[ethoxy-(propylthio)phosphoryl]oxy-1-naphthalenyl]methylideneamino]thiourea
IUPAC NAME: [(E)-[2-[ethoxy(propylsulfanyl)phosphoryl]oxynaphthalen-1-yl]methylideneamino]thiourea
SYSTEMATIC NAME: 1-[(E)-[2-[ethoxy(propylsulfanyl)phosphoryl]oxynaphthalen-1-yl]methylideneamino]thiourea
MOLECULAR FORMULA: C17H22N3O3PS2
MOLECULAR WEIGHT: 411.478641
SMILES: CCCSP(=O)(OCC)OC1=C(C2=CC=CC=C2C=C1)/C=N/NC(=S)N
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