Wednesday, August 7, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-chloro-4-[4-(methoxymethyl)phenoxy]benzene
CAS Name: 1-chloro-4-[4-(methoxymethyl)phenoxy]benzene
IUPAC NAME: 1-chloro-4-[4-(methoxymethyl)phenoxy]benzene
SYSTEMATIC NAME: 1-chloranyl-4-[4-(methoxymethyl)phenoxy]benzene
MOLECULAR FORMULA: C14H13ClO2
MOLECULAR WEIGHT: 248.70482
SMILES: COCC1=CC=C(C=C1)OC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: [acetoxy-(2,3-dimethoxyphenyl)methyl] acetate
CAS Name: acetic acid [acetyloxy-(2,3-dimethoxyphenyl)methyl] ester
IUPAC NAME: [acetyloxy-(2,3-dimethoxyphenyl)methyl] acetate
SYSTEMATIC NAME: [acetyloxy-(2,3-dimethoxyphenyl)methyl] ethanoate
MOLECULAR FORMULA: C13H16O6
MOLECULAR WEIGHT: 268.26254
SMILES: CC(=O)OC(C1=C(C(=CC=C1)OC)OC)OC(=O)C
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Product OPENEYE NAME: 3-acetamido-N-[1-(2,5-dichlorophenyl)-4-[1-(2-methylprop-2-enoylamino)ethylsulfanyl]-5-oxo-4H-pyrazol-3-yl]benzamide
CAS Name: 3-acetamido-N-[1-(2,5-dichlorophenyl)-4-[1-[(2-methyl-1-oxoprop-2-enyl)amino]ethylthio]-5-oxo-4H-pyrazol-3-yl]benzamide
IUPAC NAME: 3-acetamido-N-[1-(2,5-dichlorophenyl)-4-[1-(2-methylprop-2-enoylamino)ethylsulfanyl]-5-oxo-4H-pyrazol-3-yl]benzamide
SYSTEMATIC NAME: 3-acetamido-N-[1-[2,5-bis(chloranyl)phenyl]-4-[1-(2-methylprop-2-enoylamino)ethylsulfanyl]-5-oxidanylidene-4H-pyrazol-3-yl]benzamide
MOLECULAR FORMULA: C24H23Cl2N5O4S
MOLECULAR WEIGHT: 548.44152
SMILES: CC(NC(=O)C(=C)C)SC1C(=NN(C1=O)C2=C(C=CC(=C2)Cl)Cl)NC(=O)C3=CC(=CC=C3)NC(=O)C
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Product OPENEYE NAME: hexadecyl-methyl-(methylamino)-propyl-ammonium bromide
CAS Name: hexadecyl-methyl-(methylamino)-propylammonium bromide
IUPAC NAME: hexadecyl-methyl-(methylamino)-propylazanium bromide
SYSTEMATIC NAME: hexadecyl-methyl-(methylamino)-propyl-azanium bromide
MOLECULAR FORMULA: C21H47BrN2
MOLECULAR WEIGHT: 407.51528
SMILES: CCCCCCCCCCCCCCCC[N+](C)(CCC)NC.[Br-]
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Product OPENEYE NAME: hexadecyl-methyl-(methylamino)-propyl-ammonium
CAS Name: hexadecyl-methyl-(methylamino)-propylammonium
IUPAC NAME: hexadecyl-methyl-(methylamino)-propylazanium
SYSTEMATIC NAME: hexadecyl-methyl-(methylamino)-propyl-azanium
MOLECULAR FORMULA: C21H47N2+
MOLECULAR WEIGHT: 327.61128
SMILES: CCCCCCCCCCCCCCCC[N+](C)(CCC)NC
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Product OPENEYE NAME: 1-[4-(1-bromotetradecoxy)phenyl]propan-1-one
CAS Name: 1-[4-(1-bromotetradecoxy)phenyl]-1-propanone
IUPAC NAME: 1-[4-(1-bromotetradecoxy)phenyl]propan-1-one
SYSTEMATIC NAME: 1-[4-(1-bromanyltetradecoxy)phenyl]propan-1-one
MOLECULAR FORMULA: C23H37BrO2
MOLECULAR WEIGHT: 425.44268
SMILES: CCCCCCCCCCCCCC(OC1=CC=C(C=C1)C(=O)CC)Br
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Product OPENEYE NAME: 5-chloro-7-methoxy-4-methyl-indoline-2,3-dione
CAS Name: 5-chloro-7-methoxy-4-methyl-1H-indole-2,3-dione
IUPAC NAME: 5-chloro-7-methoxy-4-methyl-1H-indole-2,3-dione
SYSTEMATIC NAME: 5-chloranyl-7-methoxy-4-methyl-1H-indole-2,3-dione
MOLECULAR FORMULA: C10H8ClNO3
MOLECULAR WEIGHT: 225.62842
SMILES: CC1=C(C=C(C2=C1C(=O)C(=O)N2)OC)Cl
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Product OPENEYE NAME: 2-bromo-1-phenyl-2-(1-propylundecoxy)ethanone
CAS Name: 2-bromo-1-phenyl-2-tetradecan-4-yloxyethanone
IUPAC NAME: 2-bromo-1-phenyl-2-tetradecan-4-yloxyethanone
SYSTEMATIC NAME: 2-bromanyl-1-phenyl-2-tetradecan-4-yloxy-ethanone
MOLECULAR FORMULA: C22H35BrO2
MOLECULAR WEIGHT: 411.4161
SMILES: CCCCCCCCCCC(CCC)OC(C(=O)C1=CC=CC=C1)Br
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Product OPENEYE NAME: N1'-(1-aminopropyl)-N1'-(3-aminopropyl)propane-1,1-diamine
CAS Name: N1'-(1-aminopropyl)-N1'-(3-aminopropyl)propane-1,1-diamine
IUPAC NAME: 1-N'-(1-aminopropyl)-1-N'-(3-aminopropyl)propane-1,1-diamine
SYSTEMATIC NAME: N1'-(1-azanylpropyl)-N1'-(3-azanylpropyl)propane-1,1-diamine
MOLECULAR FORMULA: C9H24N4
MOLECULAR WEIGHT: 188.31366
SMILES: CCC(N)N(CCCN)C(CC)N
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Product OPENEYE NAME: 2,4,6-tris[(4-nitrophenyl)methyl]pyridine
CAS Name: 2,4,6-tris[(4-nitrophenyl)methyl]pyridine
IUPAC NAME: 2,4,6-tris[(4-nitrophenyl)methyl]pyridine
SYSTEMATIC NAME: 2,4,6-tris[(4-nitrophenyl)methyl]pyridine
MOLECULAR FORMULA: C26H20N4O6
MOLECULAR WEIGHT: 484.4602
SMILES: C1=CC(=CC=C1CC2=CC(=NC(=C2)CC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 1-[(2-phenylphenyl)methyl]-2H-pyridine
CAS Name: 1-[(2-phenylphenyl)methyl]-2H-pyridine
IUPAC NAME: 1-[(2-phenylphenyl)methyl]-2H-pyridine
SYSTEMATIC NAME: 1-[(2-phenylphenyl)methyl]-2H-pyridine
MOLECULAR FORMULA: C18H17N
MOLECULAR WEIGHT: 247.33428
SMILES: C1C=CC=CN1CC2=CC=CC=C2C3=CC=CC=C3
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Product OPENEYE NAME: 4-[(2-nitrophenyl)methyl]pyridine
CAS Name: 4-[(2-nitrophenyl)methyl]pyridine
IUPAC NAME: 4-[(2-nitrophenyl)methyl]pyridine
SYSTEMATIC NAME: 4-[(2-nitrophenyl)methyl]pyridine
MOLECULAR FORMULA: C12H10N2O2
MOLECULAR WEIGHT: 214.22
SMILES: C1=CC=C(C(=C1)CC2=CC=NC=C2)[N+](=O)[O-]
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Product OPENEYE NAME: 2,4-bis[(4-nitrophenyl)methyl]pyridine
CAS Name: 2,4-bis[(4-nitrophenyl)methyl]pyridine
IUPAC NAME: 2,4-bis[(4-nitrophenyl)methyl]pyridine
SYSTEMATIC NAME: 2,4-bis[(4-nitrophenyl)methyl]pyridine
MOLECULAR FORMULA: C19H15N3O4
MOLECULAR WEIGHT: 349.3401
SMILES: C1=CC(=CC=C1CC2=CC(=NC=C2)CC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 1-hydroxybenzotriazole; 4-methylbenzenesulfonic acid
CAS Name: 1-hydroxybenzotriazole; 4-methylbenzenesulfonic acid
IUPAC NAME: 1-hydroxybenzotriazole; 4-methylbenzenesulfonic acid
SYSTEMATIC NAME: 4-methylbenzenesulfonic acid; 1-oxidanylbenzotriazole
MOLECULAR FORMULA: C13H13N3O4S
MOLECULAR WEIGHT: 307.32502
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)N=NN2O
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Product OPENEYE NAME: 7,8,10-trichlorobicyclo[4.2.2]deca-6(10),7-diene-2,5-dione
CAS Name: 7,8,10-trichlorobicyclo[4.2.2]deca-6(10),7-diene-2,5-dione
IUPAC NAME: 7,8,10-trichlorobicyclo[4.2.2]deca-6(10),7-diene-2,5-dione
SYSTEMATIC NAME: 7,8,10-tris(chloranyl)bicyclo[4.2.2]deca-6(10),7-diene-2,5-dione
MOLECULAR FORMULA: C10H7Cl3O2
MOLECULAR WEIGHT: 265.52038
SMILES: C1CC(=O)C2=C(CC(C1=O)C(=C2Cl)Cl)Cl
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Product OPENEYE NAME: 10,13-dimethyl-2'-(2-oxoethyl)-17-(5-oxo-2H-furan-3-yl)spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-oxirane]-2'-carbaldehyde
CAS Name: 10,13-dimethyl-2'-(2-oxoethyl)-17-(5-oxo-2H-furan-3-yl)-2'-spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-oxirane]carboxaldehyde
IUPAC NAME: 10,13-dimethyl-2'-(2-oxoethyl)-17-(5-oxo-2H-furan-3-yl)spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-oxirane]-2'-carbaldehyde
SYSTEMATIC NAME: 10,13-dimethyl-2'-(2-oxidanylideneethyl)-17-(5-oxidanylidene-2H-furan-3-yl)spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3'-oxirane]-2'-carbaldehyde
MOLECULAR FORMULA: C27H36O5
MOLECULAR WEIGHT: 440.57174
SMILES: CC12CCC3(CC1CCC4C2CCC5(C4CCC5C6=CC(=O)OC6)C)C(O3)(CC=O)C=O
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Product OPENEYE NAME: 3-hydroxy-2,5-dioxo-pyrrolidine-1-sulfonate
CAS Name: 3-hydroxy-2,5-dioxo-1-pyrrolidinesulfonate
IUPAC NAME: 3-hydroxy-2,5-dioxopyrrolidine-1-sulfonate
SYSTEMATIC NAME: 3-oxidanyl-2,5-bis(oxidanylidene)pyrrolidine-1-sulfonate
MOLECULAR FORMULA: C4H4NO6S-
MOLECULAR WEIGHT: 194.14266
SMILES: C1C(C(=O)N(C1=O)S(=O)(=O)[O-])O
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