Tuesday, August 30, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 4-hexoxy-N,N-dipentyl-naphthalene-1-carboxamidine
CAS Name: 4-hexoxy-N,N-dipentyl-1-naphthalenecarboximidamide
IUPAC NAME: 4-hexoxy-N,N-dipentylnaphthalene-1-carboximidamide
SYSTEMATIC NAME: 4-hexoxy-N,N-dipentyl-naphthalene-1-carboximidamide
MOLECULAR FORMULA: C27H42N2O
MOLECULAR WEIGHT: 410.63518
SMILES: CCCCCCOC1=CC=C(C2=CC=CC=C21)C(=N)N(CCCCC)CCCCC
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Product OPENEYE NAME: (4-butoxynaphthalene-1-carboximidoyl)-dihexyl-ammonium chloride
CAS Name: [(4-butoxy-1-naphthalenyl)-iminomethyl]-dihexylammonium chloride
IUPAC NAME: (4-butoxynaphthalene-1-carboximidoyl)-dihexylazanium chloride
SYSTEMATIC NAME: [C-(4-butoxynaphthalen-1-yl)carbonimidoyl]-dihexyl-azanium chloride
MOLECULAR FORMULA: C27H43ClN2O
MOLECULAR WEIGHT: 447.09612
SMILES: CCCCCC[NH+](CCCCCC)C(=N)C1=CC=C(C2=CC=CC=C21)OCCCC.[Cl-]
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Product OPENEYE NAME: 4-butoxy-N,N-dihexyl-naphthalene-1-carboxamidine
CAS Name: 4-butoxy-N,N-dihexyl-1-naphthalenecarboximidamide
IUPAC NAME: 4-butoxy-N,N-dihexylnaphthalene-1-carboximidamide
SYSTEMATIC NAME: 4-butoxy-N,N-dihexyl-naphthalene-1-carboximidamide
MOLECULAR FORMULA: C27H42N2O
MOLECULAR WEIGHT: 410.63518
SMILES: CCCCCCN(CCCCCC)C(=N)C1=CC=C(C2=CC=CC=C21)OCCCC
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Product OPENEYE NAME: (4-methoxynaphthalene-1-carboximidoyl)-dioctyl-ammonium chloride
CAS Name: [imino-(4-methoxy-1-naphthalenyl)methyl]-dioctylammonium chloride
IUPAC NAME: (4-methoxynaphthalene-1-carboximidoyl)-dioctylazanium chloride
SYSTEMATIC NAME: [C-(4-methoxynaphthalen-1-yl)carbonimidoyl]-dioctyl-azanium chloride
MOLECULAR FORMULA: C28H45ClN2O
MOLECULAR WEIGHT: 461.1227
SMILES: CCCCCCCC[NH+](CCCCCCCC)C(=N)C1=CC=C(C2=CC=CC=C21)OC.[Cl-]
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Product OPENEYE NAME: 4-methoxy-N,N-dioctyl-naphthalene-1-carboxamidine
CAS Name: 4-methoxy-N,N-dioctyl-1-naphthalenecarboximidamide
IUPAC NAME: 4-methoxy-N,N-dioctylnaphthalene-1-carboximidamide
SYSTEMATIC NAME: 4-methoxy-N,N-dioctyl-naphthalene-1-carboximidamide
MOLECULAR FORMULA: C28H44N2O
MOLECULAR WEIGHT: 424.66176
SMILES: CCCCCCCCN(CCCCCCCC)C(=N)C1=CC=C(C2=CC=CC=C21)OC
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Product OPENEYE NAME: (4-heptoxynaphthalene-1-carboximidoyl)-dihexyl-ammonium chloride
CAS Name: [(4-heptoxy-1-naphthalenyl)-iminomethyl]-dihexylammonium chloride
IUPAC NAME: (4-heptoxynaphthalene-1-carboximidoyl)-dihexylazanium chloride
SYSTEMATIC NAME: [C-(4-heptoxynaphthalen-1-yl)carbonimidoyl]-dihexyl-azanium chloride
MOLECULAR FORMULA: C30H49ClN2O
MOLECULAR WEIGHT: 489.17586
SMILES: CCCCCCCOC1=CC=C(C2=CC=CC=C21)C(=N)[NH+](CCCCCC)CCCCCC.[Cl-]
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Product OPENEYE NAME: 4-heptoxy-N,N-dihexyl-naphthalene-1-carboxamidine
CAS Name: 4-heptoxy-N,N-dihexyl-1-naphthalenecarboximidamide
IUPAC NAME: 4-heptoxy-N,N-dihexylnaphthalene-1-carboximidamide
SYSTEMATIC NAME: 4-heptoxy-N,N-dihexyl-naphthalene-1-carboximidamide
MOLECULAR FORMULA: C30H48N2O
MOLECULAR WEIGHT: 452.71492
SMILES: CCCCCCCOC1=CC=C(C2=CC=CC=C21)C(=N)N(CCCCCC)CCCCCC
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Product OPENEYE NAME: 2,3,5,6-tetramethylpyridine
CAS Name: 2,3,5,6-tetramethylpyridine
IUPAC NAME: 2,3,5,6-tetramethylpyridine
SYSTEMATIC NAME: 2,3,5,6-tetramethylpyridine
MOLECULAR FORMULA: C9H13N
MOLECULAR WEIGHT: 135.20622
SMILES: CC1=CC(=C(N=C1C)C)C
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Product OPENEYE NAME: triisopropylstannane
CAS Name: tri(propan-2-yl)stannane
IUPAC NAME: tri(propan-2-yl)stannane
SYSTEMATIC NAME: tri(propan-2-yl)stannane
MOLECULAR FORMULA: C9H22Sn
MOLECULAR WEIGHT: 248.98098
SMILES: CC(C)[SnH](C(C)C)C(C)C
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Product OPENEYE NAME: 5-acetamido-4-oxo-hex-5-enamide
CAS Name: 5-acetamido-4-oxo-5-hexenamide
IUPAC NAME: 5-acetamido-4-oxohex-5-enamide
SYSTEMATIC NAME: 5-acetamido-4-oxidanylidene-hex-5-enamide
MOLECULAR FORMULA: C8H12N2O3
MOLECULAR WEIGHT: 184.19248
SMILES: CC(=O)NC(=C)C(=O)CCC(=O)N
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Product OPENEYE NAME: (3S,5R,10R,13R,14S,17R)-14-hydroxy-3-[(2R,5R)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
CAS Name: (3S,5R,10R,13R,14S,17R)-14-hydroxy-3-[[(2R,5R)-5-hydroxy-4-methoxy-6-methyl-2-oxanyl]oxy]-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carboxaldehyde
IUPAC NAME: (3S,5R,10R,13R,14S,17R)-14-hydroxy-3-[(2R,5R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
SYSTEMATIC NAME: (3S,5R,10R,13R,14S,17R)-3-[(2R,5R)-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-13-methyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
MOLECULAR FORMULA: C30H44O8
MOLECULAR WEIGHT: 532.66556
SMILES: CC1[C@H](C(C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CCC4C3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C=O)OC)O
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Product OPENEYE NAME: 3-(2-chlorophenyl)prop-2-enoic acid
CAS Name: 3-(2-chlorophenyl)-2-propenoic acid
IUPAC NAME: 3-(2-chlorophenyl)prop-2-enoic acid
SYSTEMATIC NAME: 3-(2-chlorophenyl)prop-2-enoic acid
MOLECULAR FORMULA: C9H7ClO2
MOLECULAR WEIGHT: 182.60368
SMILES: C1=CC=C(C(=C1)C=CC(=O)O)Cl
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Product OPENEYE NAME: 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-ethanamine
CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethylethanamine
IUPAC NAME: 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethylethanamine
SYSTEMATIC NAME: 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-ethanamine
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: CCNC(C)C1COC2=CC=CC=C2O1
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Product OPENEYE NAME: 5-isopropyl-2-methyl-benzoic acid
CAS Name: 2-methyl-5-propan-2-ylbenzoic acid
IUPAC NAME: 2-methyl-5-propan-2-ylbenzoic acid
SYSTEMATIC NAME: 2-methyl-5-propan-2-yl-benzoic acid
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CC1=C(C=C(C=C1)C(C)C)C(=O)O
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Product OPENEYE NAME: [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] propanoate
CAS Name: propanoic acid [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester
IUPAC NAME: [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] propanoate
SYSTEMATIC NAME: [(8R,9S,13S,14S,17S)-13-methyl-3-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] propanoate
MOLECULAR FORMULA: C21H28O3
MOLECULAR WEIGHT: 328.44522
SMILES: CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C
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Product OPENEYE NAME: 2-(diethylamino)ethyl 3-amino-4-butoxy-benzoate
CAS Name: 3-amino-4-butoxybenzoic acid 2-(diethylamino)ethyl ester
IUPAC NAME: 2-(diethylamino)ethyl 3-amino-4-butoxybenzoate
SYSTEMATIC NAME: 2-(diethylamino)ethyl 3-azanyl-4-butoxy-benzoate
MOLECULAR FORMULA: C17H28N2O3
MOLECULAR WEIGHT: 308.41582
SMILES: CCCCOC1=C(C=C(C=C1)C(=O)OCCN(CC)CC)N
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Product OPENEYE NAME: dihydrogen phosphate; 2-hydroxyethyl-dimethyl-[3-(octadecanoylamino)propyl]ammonium
CAS Name: dihydrogen phosphate; 2-hydroxyethyl-dimethyl-[3-(1-oxooctadecylamino)propyl]ammonium
IUPAC NAME: dihydrogen phosphate; 2-hydroxyethyl-dimethyl-[3-(octadecanoylamino)propyl]azanium
SYSTEMATIC NAME: dihydrogen phosphate; 2-hydroxyethyl-dimethyl-[3-(octadecanoylamino)propyl]azanium
MOLECULAR FORMULA: C25H55N2O6P
MOLECULAR WEIGHT: 510.687761
SMILES: CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCO.OP(=O)(O)[O-]
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Product OPENEYE NAME: 2-hydroxyethyl-dimethyl-[3-(octadecanoylamino)propyl]ammonium
CAS Name: 2-hydroxyethyl-dimethyl-[3-(1-oxooctadecylamino)propyl]ammonium
IUPAC NAME: 2-hydroxyethyl-dimethyl-[3-(octadecanoylamino)propyl]azanium
SYSTEMATIC NAME: 2-hydroxyethyl-dimethyl-[3-(octadecanoylamino)propyl]azanium
MOLECULAR FORMULA: C25H53N2O2+
MOLECULAR WEIGHT: 413.70052
SMILES: CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCO
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Product OPENEYE NAME: 1-naphthyl carbonochloridate
CAS Name: carbonochloridic acid 1-naphthalenyl ester
IUPAC NAME: naphthalen-1-yl carbonochloridate
SYSTEMATIC NAME: naphthalen-1-yl carbonochloridate
MOLECULAR FORMULA: C11H7ClO2
MOLECULAR WEIGHT: 206.62508
SMILES: C1=CC=C2C(=C1)C=CC=C2OC(=O)Cl
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Product OPENEYE NAME: 2-ethylcyclohexanol
CAS Name: 2-ethyl-1-cyclohexanol
IUPAC NAME: 2-ethylcyclohexan-1-ol
SYSTEMATIC NAME: 2-ethylcyclohexan-1-ol
MOLECULAR FORMULA: C8H16O
MOLECULAR WEIGHT: 128.21204
SMILES: CCC1CCCCC1O
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