Monday, August 5, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-amino-3-(2,3-dinitrophenyl)propanoic acid
CAS Name: 2-amino-3-(2,3-dinitrophenyl)propanoic acid
IUPAC NAME: 2-amino-3-(2,3-dinitrophenyl)propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-(2,3-dinitrophenyl)propanoic acid
MOLECULAR FORMULA: C9H9N3O6
MOLECULAR WEIGHT: 255.18426
SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])CC(C(=O)O)N
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Product OPENEYE NAME: 2-(2-methoxyethyl)benzamide
CAS Name: 2-(2-methoxyethyl)benzamide
IUPAC NAME: 2-(2-methoxyethyl)benzamide
SYSTEMATIC NAME: 2-(2-methoxyethyl)benzamide
MOLECULAR FORMULA: C10H13NO2
MOLECULAR WEIGHT: 179.21572
SMILES: COCCC1=CC=CC=C1C(=O)N
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Product OPENEYE NAME: benzyl N-[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-5-guanidino-pentanoyl]-N-(naphthalene-2-carbonyl)carbamate
CAS Name: N-[2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]-N-[2-naphthalenyl(oxo)methyl]carbamic acid (phenylmethyl) ester
IUPAC NAME: benzyl N-[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-(naphthalene-2-carbonyl)carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[2-[2-(2-azanylethanoylamino)ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]-N-naphthalen-2-ylcarbonyl-carbamate
MOLECULAR FORMULA: C29H33N7O6
MOLECULAR WEIGHT: 575.61562
SMILES: C1=CC=C(C=C1)COC(=O)N(C(=O)C2=CC3=CC=CC=C3C=C2)C(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)CN
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Product OPENEYE NAME: (2-isopropyl-5-methyl-cyclohexyl)phosphane
CAS Name: (5-methyl-2-propan-2-ylcyclohexyl)phosphine
IUPAC NAME: (5-methyl-2-propan-2-ylcyclohexyl)phosphane
SYSTEMATIC NAME: (5-methyl-2-propan-2-yl-cyclohexyl)phosphane
MOLECULAR FORMULA: C10H21P
MOLECULAR WEIGHT: 172.247501
SMILES: CC1CCC(C(C1)P)C(C)C
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Product OPENEYE NAME: 17-(1,5-dimethylhexyl)-10,13-dimethyl-spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-4',5'-dicarboxylate
CAS Name: 10,13-dimethyl-17-(6-methylheptan-2-yl)spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-4',5'-dicarboxylate
IUPAC NAME: 10,13-dimethyl-17-(6-methylheptan-2-yl)spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-4',5'-dicarboxylate
SYSTEMATIC NAME: 10,13-dimethyl-17-(6-methylheptan-2-yl)spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-4',5'-dicarboxylate
MOLECULAR FORMULA: C31H48O6-2
MOLECULAR WEIGHT: 516.70922
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC5(C4)OC(C(O5)C(=O)[O-])C(=O)[O-])C)C
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Product OPENEYE NAME: 17-(1,5-dimethylhexyl)-10,13-dimethyl-spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-4',5'-dicarboxylic acid
CAS Name: 10,13-dimethyl-17-(6-methylheptan-2-yl)spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-4',5'-dicarboxylic acid
IUPAC NAME: 10,13-dimethyl-17-(6-methylheptan-2-yl)spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-4',5'-dicarboxylic acid
SYSTEMATIC NAME: 10,13-dimethyl-17-(6-methylheptan-2-yl)spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-4',5'-dicarboxylic acid
MOLECULAR FORMULA: C31H50O6
MOLECULAR WEIGHT: 518.7251
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC5(C4)OC(C(O5)C(=O)O)C(=O)O)C)C
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Product OPENEYE NAME: 17-(1,5-dimethylhexyl)-4',5'-diethyl-10,13-dimethyl-spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-4',5'-dicarboxylate
CAS Name: 4',5'-diethyl-10,13-dimethyl-17-(6-methylheptan-2-yl)spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-4',5'-dicarboxylate
IUPAC NAME: 4',5'-diethyl-10,13-dimethyl-17-(6-methylheptan-2-yl)spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-4',5'-dicarboxylate
SYSTEMATIC NAME: 4',5'-diethyl-10,13-dimethyl-17-(6-methylheptan-2-yl)spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-4',5'-dicarboxylate
MOLECULAR FORMULA: C35H56O6-2
MOLECULAR WEIGHT: 572.81554
SMILES: CCC1(C(OC2(O1)CCC3(C(C2)CCC4C3CCC5(C4CCC5C(C)CCCC(C)C)C)C)(CC)C(=O)[O-])C(=O)[O-]
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Product OPENEYE NAME: 17-(1,5-dimethylhexyl)-4',5'-diethyl-10,13-dimethyl-spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-4',5'-dicarboxylic acid
CAS Name: 4',5'-diethyl-10,13-dimethyl-17-(6-methylheptan-2-yl)spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-4',5'-dicarboxylic acid
IUPAC NAME: 4',5'-diethyl-10,13-dimethyl-17-(6-methylheptan-2-yl)spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-4',5'-dicarboxylic acid
SYSTEMATIC NAME: 4',5'-diethyl-10,13-dimethyl-17-(6-methylheptan-2-yl)spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-4',5'-dicarboxylic acid
MOLECULAR FORMULA: C35H58O6
MOLECULAR WEIGHT: 574.83142
SMILES: CCC1(C(OC2(O1)CCC3(C(C2)CCC4C3CCC5(C4CCC5C(C)CCCC(C)C)C)C)(CC)C(=O)O)C(=O)O
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Product OPENEYE NAME: azepan-2-one; bromoethane
CAS Name: 2-azepanone; bromoethane
IUPAC NAME: azepan-2-one; bromoethane
SYSTEMATIC NAME: azepan-2-one; bromanylethane
MOLECULAR FORMULA: C8H16BrNO
MOLECULAR WEIGHT: 222.12274
SMILES: CCBr.C1CCC(=O)NCC1
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Product OPENEYE NAME: 3-[(E)-2-acetamidovinyl]sulfanyl-6-(1-azidoethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
CAS Name: 3-[[(E)-2-acetamidoethenyl]thio]-6-(1-azidoethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
IUPAC NAME: 3-[(E)-2-acetamidoethenyl]sulfanyl-6-(1-azidoethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
SYSTEMATIC NAME: 3-[(E)-2-acetamidoethenyl]sulfanyl-6-(1-azidoethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
MOLECULAR FORMULA: C13H14N5O4S-
MOLECULAR WEIGHT: 336.34636
SMILES: CC(C1C2CC(=C(N2C1=O)C(=O)[O-])S/C=C/NC(=O)C)N=[N+]=[N-]
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Product OPENEYE NAME: 3-[(E)-2-acetamidovinyl]sulfanyl-6-(1-azidoethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CAS Name: 3-[[(E)-2-acetamidoethenyl]thio]-6-(1-azidoethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC NAME: 3-[(E)-2-acetamidoethenyl]sulfanyl-6-(1-azidoethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 3-[(E)-2-acetamidoethenyl]sulfanyl-6-(1-azidoethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C13H15N5O4S
MOLECULAR WEIGHT: 337.3543
SMILES: CC(C1C2CC(=C(N2C1=O)C(=O)O)S/C=C/NC(=O)C)N=[N+]=[N-]
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Product OPENEYE NAME: 6-(1-formyloxyethyl)-3-[(E)-3-[(4-nitrophenyl)methoxy]-3-oxo-prop-1-enyl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
CAS Name: 6-(1-formyloxyethyl)-3-[[(E)-3-[(4-nitrophenyl)methoxy]-3-oxoprop-1-enyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
IUPAC NAME: 6-(1-formyloxyethyl)-3-[(E)-3-[(4-nitrophenyl)methoxy]-3-oxoprop-1-enyl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
SYSTEMATIC NAME: 6-(1-methanoyloxyethyl)-3-[(E)-3-[(4-nitrophenyl)methoxy]-3-oxidanylidene-prop-1-enyl]sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
MOLECULAR FORMULA: C20H17N2O9S-
MOLECULAR WEIGHT: 461.42198
SMILES: CC(C1C2CC(=C(N2C1=O)C(=O)[O-])S/C=C/C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])OC=O
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