Tuesday, August 30, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 2-(N-acetylanilino)-N,N-dimethyl-acetamide
CAS Name: 2-(N-acetylanilino)-N,N-dimethylacetamide
IUPAC NAME: 2-(N-acetylanilino)-N,N-dimethylacetamide
SYSTEMATIC NAME: 2-[ethanoyl(phenyl)amino]-N,N-dimethyl-ethanamide
MOLECULAR FORMULA: C12H16N2O2
MOLECULAR WEIGHT: 220.26764
SMILES: CC(=O)N(CC(=O)N(C)C)C1=CC=CC=C1
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Product OPENEYE NAME: diethyl-[2-(phenylcarbamoyloxy)ethyl]ammonium chloride
CAS Name: 2-[anilino(oxo)methoxy]ethyl-diethylammonium chloride
IUPAC NAME: diethyl-[2-(phenylcarbamoyloxy)ethyl]azanium chloride
SYSTEMATIC NAME: diethyl-[2-(phenylcarbamoyloxy)ethyl]azanium chloride
MOLECULAR FORMULA: C13H21ClN2O2
MOLECULAR WEIGHT: 272.77104
SMILES: CC[NH+](CC)CCOC(=O)NC1=CC=CC=C1.[Cl-]
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Product OPENEYE NAME: 2-(diethylamino)ethyl N-phenylcarbamate
CAS Name: N-phenylcarbamic acid 2-(diethylamino)ethyl ester
IUPAC NAME: 2-(diethylamino)ethyl N-phenylcarbamate
SYSTEMATIC NAME: 2-(diethylamino)ethyl N-phenylcarbamate
MOLECULAR FORMULA: C13H20N2O2
MOLECULAR WEIGHT: 236.3101
SMILES: CCN(CC)CCOC(=O)NC1=CC=CC=C1
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Product OPENEYE NAME: 3-phenoxybenzoic acid
CAS Name: 3-phenoxybenzoic acid
IUPAC NAME: 3-phenoxybenzoic acid
SYSTEMATIC NAME: 3-phenoxybenzoic acid
MOLECULAR FORMULA: C13H10O3
MOLECULAR WEIGHT: 214.2167
SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)O
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Product OPENEYE NAME: pentylcyclopentane
CAS Name: pentylcyclopentane
IUPAC NAME: pentylcyclopentane
SYSTEMATIC NAME: pentylcyclopentane
MOLECULAR FORMULA: C10H20
MOLECULAR WEIGHT: 140.2658
SMILES: CCCCCC1CCCC1
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Product OPENEYE NAME: 2-chloro-1,3,2-dithiarsolane
CAS Name: 2-chloro-1,3,2-dithiarsolane
IUPAC NAME: 2-chloro-1,3,2-dithiarsolane
SYSTEMATIC NAME: 2-chloranyl-1,3,2-dithiarsolane
MOLECULAR FORMULA: C2H4AsClS2
MOLECULAR WEIGHT: 202.55776
SMILES: C1CS[As](S1)Cl
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Product OPENEYE NAME: 2-methoxy-1,3,2-dioxaphospholane
CAS Name: 2-methoxy-1,3,2-dioxaphospholane
IUPAC NAME: 2-methoxy-1,3,2-dioxaphospholane
SYSTEMATIC NAME: 2-methoxy-1,3,2-dioxaphospholane
MOLECULAR FORMULA: C3H7O3P
MOLECULAR WEIGHT: 122.059641
SMILES: COP1OCCO1
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Product OPENEYE NAME: 4-methylpent-4-en-2-one
CAS Name: 4-methyl-4-penten-2-one
IUPAC NAME: 4-methylpent-4-en-2-one
SYSTEMATIC NAME: 4-methylpent-4-en-2-one
MOLECULAR FORMULA: C6H10O
MOLECULAR WEIGHT: 98.143
SMILES: CC(=C)CC(=O)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H30Cl2O5
MOLECULAR WEIGHT: 469.398
SMILES: CC1(O[C@@H]2CC3C4CCC5=CC(=O)C=CC5([C@]4(C(CC3([C@@]2(O1)C(=O)CO)C)Cl)Cl)C)C
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Product OPENEYE NAME: 2,4-dimethyl-6-methylsulfanyl-1,3,5-triazine
CAS Name: 2,4-dimethyl-6-(methylthio)-1,3,5-triazine
IUPAC NAME: 2,4-dimethyl-6-methylsulfanyl-1,3,5-triazine
SYSTEMATIC NAME: 2,4-dimethyl-6-methylsulfanyl-1,3,5-triazine
MOLECULAR FORMULA: C6H9N3S
MOLECULAR WEIGHT: 155.22076
SMILES: CC1=NC(=NC(=N1)SC)C
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Product OPENEYE NAME: dodecyl 2-sulfanylacetate
CAS Name: 2-mercaptoacetic acid dodecyl ester
IUPAC NAME: dodecyl 2-sulfanylacetate
SYSTEMATIC NAME: dodecyl 2-sulfanylethanoate
MOLECULAR FORMULA: C14H28O2S
MOLECULAR WEIGHT: 260.43592
SMILES: CCCCCCCCCCCCOC(=O)CS
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Product OPENEYE NAME: diheptyl-(4-methoxynaphthalene-1-carboximidoyl)ammonium chloride
CAS Name: diheptyl-[imino-(4-methoxy-1-naphthalenyl)methyl]ammonium chloride
IUPAC NAME: diheptyl-(4-methoxynaphthalene-1-carboximidoyl)azanium chloride
SYSTEMATIC NAME: diheptyl-[C-(4-methoxynaphthalen-1-yl)carbonimidoyl]azanium chloride
MOLECULAR FORMULA: C26H41ClN2O
MOLECULAR WEIGHT: 433.06954
SMILES: CCCCCCC[NH+](CCCCCCC)C(=N)C1=CC=C(C2=CC=CC=C21)OC.[Cl-]
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Product OPENEYE NAME: N,N-diheptyl-4-methoxy-naphthalene-1-carboxamidine
CAS Name: N,N-diheptyl-4-methoxy-1-naphthalenecarboximidamide
IUPAC NAME: N,N-diheptyl-4-methoxynaphthalene-1-carboximidamide
SYSTEMATIC NAME: N,N-diheptyl-4-methoxy-naphthalene-1-carboximidamide
MOLECULAR FORMULA: C26H40N2O
MOLECULAR WEIGHT: 396.6086
SMILES: CCCCCCCN(CCCCCCC)C(=N)C1=CC=C(C2=CC=CC=C21)OC
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Product OPENEYE NAME: 2-chloroethyl N-phenylcarbamate
CAS Name: N-phenylcarbamic acid 2-chloroethyl ester
IUPAC NAME: 2-chloroethyl N-phenylcarbamate
SYSTEMATIC NAME: 2-chloroethyl N-phenylcarbamate
MOLECULAR FORMULA: C9H10ClNO2
MOLECULAR WEIGHT: 199.6342
SMILES: C1=CC=C(C=C1)NC(=O)OCCCl
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Product OPENEYE NAME: dibutyl-(4-pentoxynaphthalene-1-carboximidoyl)ammonium chloride
CAS Name: dibutyl-[imino-(4-pentoxy-1-naphthalenyl)methyl]ammonium chloride
IUPAC NAME: dibutyl-(4-pentoxynaphthalene-1-carboximidoyl)azanium chloride
SYSTEMATIC NAME: dibutyl-[C-(4-pentoxynaphthalen-1-yl)carbonimidoyl]azanium chloride
MOLECULAR FORMULA: C24H37ClN2O
MOLECULAR WEIGHT: 405.01638
SMILES: CCCCCOC1=CC=C(C2=CC=CC=C21)C(=N)[NH+](CCCC)CCCC.[Cl-]
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Product OPENEYE NAME: N,N-dibutyl-4-pentoxy-naphthalene-1-carboxamidine
CAS Name: N,N-dibutyl-4-pentoxy-1-naphthalenecarboximidamide
IUPAC NAME: N,N-dibutyl-4-pentoxynaphthalene-1-carboximidamide
SYSTEMATIC NAME: N,N-dibutyl-4-pentoxy-naphthalene-1-carboximidamide
MOLECULAR FORMULA: C24H36N2O
MOLECULAR WEIGHT: 368.55544
SMILES: CCCCCOC1=CC=C(C2=CC=CC=C21)C(=N)N(CCCC)CCCC
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Product OPENEYE NAME: (4-butoxynaphthalene-1-carboximidoyl)-dipentyl-ammonium chloride
CAS Name: [(4-butoxy-1-naphthalenyl)-iminomethyl]-dipentylammonium chloride
IUPAC NAME: (4-butoxynaphthalene-1-carboximidoyl)-dipentylazanium chloride
SYSTEMATIC NAME: [C-(4-butoxynaphthalen-1-yl)carbonimidoyl]-dipentyl-azanium chloride
MOLECULAR FORMULA: C25H39ClN2O
MOLECULAR WEIGHT: 419.04296
SMILES: CCCCC[NH+](CCCCC)C(=N)C1=CC=C(C2=CC=CC=C21)OCCCC.[Cl-]
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Product OPENEYE NAME: 4-butoxy-N,N-dipentyl-naphthalene-1-carboxamidine
CAS Name: 4-butoxy-N,N-dipentyl-1-naphthalenecarboximidamide
IUPAC NAME: 4-butoxy-N,N-dipentylnaphthalene-1-carboximidamide
SYSTEMATIC NAME: 4-butoxy-N,N-dipentyl-naphthalene-1-carboximidamide
MOLECULAR FORMULA: C25H38N2O
MOLECULAR WEIGHT: 382.58202
SMILES: CCCCCN(CCCCC)C(=N)C1=CC=C(C2=CC=CC=C21)OCCCC
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Product OPENEYE NAME: (4-hexoxynaphthalene-1-carboximidoyl)-dipentyl-ammonium chloride
CAS Name: [(4-hexoxy-1-naphthalenyl)-iminomethyl]-dipentylammonium chloride
IUPAC NAME: (4-hexoxynaphthalene-1-carboximidoyl)-dipentylazanium chloride
SYSTEMATIC NAME: [C-(4-hexoxynaphthalen-1-yl)carbonimidoyl]-dipentyl-azanium chloride
MOLECULAR FORMULA: C27H43ClN2O
MOLECULAR WEIGHT: 447.09612
SMILES: CCCCCCOC1=CC=C(C2=CC=CC=C21)C(=N)[NH+](CCCCC)CCCCC.[Cl-]
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