Sunday, July 31, 2011

All Chemical Compounds Information




Product OPENEYE NAME: p-tolyl acetate
CAS Name: acetic acid (4-methylphenyl) ester
IUPAC NAME: (4-methylphenyl) acetate
SYSTEMATIC NAME: (4-methylphenyl) ethanoate
MOLECULAR FORMULA: C9H10O2
MOLECULAR WEIGHT: 150.1745
SMILES: CC1=CC=C(C=C1)OC(=O)C
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Product OPENEYE NAME: N-(5-nitrothiazol-2-yl)acetamide
CAS Name: N-(5-nitro-2-thiazolyl)acetamide
IUPAC NAME: N-(5-nitro-1,3-thiazol-2-yl)acetamide
SYSTEMATIC NAME: N-(5-nitro-1,3-thiazol-2-yl)ethanamide
MOLECULAR FORMULA: C5H5N3O3S
MOLECULAR WEIGHT: 187.1765
SMILES: CC(=O)NC1=NC=C(S1)[N+](=O)[O-]
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Product OPENEYE NAME: 3-(4-chlorophenyl)-1,1-dimethyl-urea; 2,2,2-trichloroacetic acid
CAS Name: 3-(4-chlorophenyl)-1,1-dimethylurea; 2,2,2-trichloroacetic acid
IUPAC NAME: 3-(4-chlorophenyl)-1,1-dimethylurea; 2,2,2-trichloroacetic acid
SYSTEMATIC NAME: 3-(4-chlorophenyl)-1,1-dimethyl-urea; 2,2,2-tris(chloranyl)ethanoic acid
MOLECULAR FORMULA: C11H12Cl4N2O3
MOLECULAR WEIGHT: 362.03658
SMILES: CN(C)C(=O)NC1=CC=C(C=C1)Cl.C(=O)(C(Cl)(Cl)Cl)O
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Product OPENEYE NAME: 3-(4-chlorophenyl)-1,1-dimethyl-urea
CAS Name: 3-(4-chlorophenyl)-1,1-dimethylurea
IUPAC NAME: 3-(4-chlorophenyl)-1,1-dimethylurea
SYSTEMATIC NAME: 3-(4-chlorophenyl)-1,1-dimethyl-urea
MOLECULAR FORMULA: C9H11ClN2O
MOLECULAR WEIGHT: 198.64944
SMILES: CN(C)C(=O)NC1=CC=C(C=C1)Cl
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Product OPENEYE NAME: [4-(hydroxymethoxycarbonylamino)phenyl]arsonic acid
CAS Name: [4-[[hydroxymethoxy(oxo)methyl]amino]phenyl]arsonic acid
IUPAC NAME: [4-(hydroxymethoxycarbonylamino)phenyl]arsonic acid
SYSTEMATIC NAME: [4-(hydroxymethyloxycarbonylamino)phenyl]arsonic acid
MOLECULAR FORMULA: C8H10AsNO6
MOLECULAR WEIGHT: 291.0897
SMILES: C1=CC(=CC=C1NC(=O)OCO)[As](=O)(O)O
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Product OPENEYE NAME: sodium 3-[(4-nitrophenyl)carbamoylamino]propanoate
CAS Name: sodium 3-[[(4-nitroanilino)-oxomethyl]amino]propanoate
IUPAC NAME: sodium 3-[(4-nitrophenyl)carbamoylamino]propanoate
SYSTEMATIC NAME: sodium 3-[(4-nitrophenyl)carbamoylamino]propanoate
MOLECULAR FORMULA: C10H10N3NaO5
MOLECULAR WEIGHT: 275.19327
SMILES: C1=CC(=CC=C1NC(=O)NCCC(=O)[O-])[N+](=O)[O-].[Na+]
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Product OPENEYE NAME: 3-[(4-nitrophenyl)carbamoylamino]propanoic acid
CAS Name: 3-[[(4-nitroanilino)-oxomethyl]amino]propanoic acid
IUPAC NAME: 3-[(4-nitrophenyl)carbamoylamino]propanoic acid
SYSTEMATIC NAME: 3-[(4-nitrophenyl)carbamoylamino]propanoic acid
MOLECULAR FORMULA: C10H11N3O5
MOLECULAR WEIGHT: 253.21144
SMILES: C1=CC(=CC=C1NC(=O)NCCC(=O)O)[N+](=O)[O-]
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Product OPENEYE NAME: N-[4-(2-chloroacetyl)phenyl]acetamide
CAS Name: N-[4-(2-chloro-1-oxoethyl)phenyl]acetamide
IUPAC NAME: N-[4-(2-chloroacetyl)phenyl]acetamide
SYSTEMATIC NAME: N-[4-(2-chloranylethanoyl)phenyl]ethanamide
MOLECULAR FORMULA: C10H10ClNO2
MOLECULAR WEIGHT: 211.6449
SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)CCl
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Product OPENEYE NAME: 2,2-bis(4-chlorophenyl)acetonitrile
CAS Name: 2,2-bis(4-chlorophenyl)acetonitrile
IUPAC NAME: 2,2-bis(4-chlorophenyl)acetonitrile
SYSTEMATIC NAME: 2,2-bis(4-chlorophenyl)ethanenitrile
MOLECULAR FORMULA: C14H9Cl2N
MOLECULAR WEIGHT: 262.13396
SMILES: C1=CC(=CC=C1C(C#N)C2=CC=C(C=C2)Cl)Cl
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Product OPENEYE NAME: [4-(dimethylamino)phenyl]iminosulfamic acid
CAS Name: [4-(dimethylamino)phenyl]iminosulfamic acid
IUPAC NAME: [4-(dimethylamino)phenyl]iminosulfamic acid
SYSTEMATIC NAME: [4-(dimethylamino)phenyl]iminosulfamic acid
MOLECULAR FORMULA: C8H11N3O3S
MOLECULAR WEIGHT: 229.25624
SMILES: CN(C)C1=CC=C(C=C1)N=NS(=O)(=O)O
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Product OPENEYE NAME: [2-(4-tert-butylphenoxy)-1-methyl-ethyl] 2-chloroethyl sulfite
CAS Name: sulfurous acid 1-(4-tert-butylphenoxy)propan-2-yl 2-chloroethyl ester
IUPAC NAME: 1-(4-tert-butylphenoxy)propan-2-yl 2-chloroethyl sulfite
SYSTEMATIC NAME: 1-(4-tert-butylphenoxy)propan-2-yl 2-chloroethyl sulfite
MOLECULAR FORMULA: C15H23ClO4S
MOLECULAR WEIGHT: 334.85872
SMILES: CC(COC1=CC=C(C=C1)C(C)(C)C)OS(=O)OCCCl
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Product OPENEYE NAME: 4-[2-(4-carbamimidoylphenyl)vinyl]benzamidine
CAS Name: 4-[2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide
IUPAC NAME: 4-[2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide
SYSTEMATIC NAME: 4-[2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide
MOLECULAR FORMULA: C16H16N4
MOLECULAR WEIGHT: 264.32504
SMILES: C1=CC(=CC=C1C=CC2=CC=C(C=C2)C(=N)N)C(=N)N
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Product OPENEYE NAME: 4-decylbenzenesulfonic acid
CAS Name: 4-decylbenzenesulfonic acid
IUPAC NAME: 4-decylbenzenesulfonic acid
SYSTEMATIC NAME: 4-decylbenzenesulfonic acid
MOLECULAR FORMULA: C16H26O3S
MOLECULAR WEIGHT: 298.44084
SMILES: CCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O
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Product OPENEYE NAME: 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzamidine; 2-hydroxyethanesulfonic acid
CAS Name: 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; 2-hydroxyethanesulfonic acid
IUPAC NAME: 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; 2-hydroxyethanesulfonic acid
SYSTEMATIC NAME: 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; 2-oxidanylethanesulfonic acid
MOLECULAR FORMULA: C23H36N4O10S2
MOLECULAR WEIGHT: 592.68274
SMILES: C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O
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Product OPENEYE NAME: 4-(1,1,3,3-tetramethylbutyl)phenol
CAS Name: 4-(2,4,4-trimethylpentan-2-yl)phenol
IUPAC NAME: 4-(2,4,4-trimethylpentan-2-yl)phenol
SYSTEMATIC NAME: 4-(2,4,4-trimethylpentan-2-yl)phenol
MOLECULAR FORMULA: C14H22O
MOLECULAR WEIGHT: 206.32388
SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O
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Product OPENEYE NAME: 1-allyl-4-methoxy-benzene
CAS Name: 1-methoxy-4-prop-2-enylbenzene
IUPAC NAME: 1-methoxy-4-prop-2-enylbenzene
SYSTEMATIC NAME: 1-methoxy-4-prop-2-enyl-benzene
MOLECULAR FORMULA: C10H12O
MOLECULAR WEIGHT: 148.20168
SMILES: COC1=CC=C(C=C1)CC=C
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Product OPENEYE NAME: 1-hexadecylpyridin-1-ium bromide
CAS Name: 1-hexadecylpyridin-1-ium bromide
IUPAC NAME: 1-hexadecylpyridin-1-ium bromide
SYSTEMATIC NAME: 1-hexadecylpyridin-1-ium bromide
MOLECULAR FORMULA: C21H38BrN
MOLECULAR WEIGHT: 384.43712
SMILES: CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Br-]
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Product OPENEYE NAME: 2-methyl-5-vinyl-pyridine
CAS Name: 5-ethenyl-2-methylpyridine
IUPAC NAME: 5-ethenyl-2-methylpyridine
SYSTEMATIC NAME: 5-ethenyl-2-methyl-pyridine
MOLECULAR FORMULA: C8H9N
MOLECULAR WEIGHT: 119.16376
SMILES: CC1=NC=C(C=C1)C=C
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