Monday, July 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: prop-1-ene; 1-pyrimidin-2-yl-3-sulfonyl-thiourea
CAS Name: 1-propene; 1-(2-pyrimidinyl)-3-sulfonylthiourea
IUPAC NAME: prop-1-ene; 1-pyrimidin-2-yl-3-sulfonylthiourea
SYSTEMATIC NAME: prop-1-ene; 1-pyrimidin-2-yl-3-sulfonyl-thiourea
MOLECULAR FORMULA: C8H10N4O2S2
MOLECULAR WEIGHT: 258.3206
SMILES: CC=C.C1=CN=C(N=C1)NC(=S)N=S(=O)=O
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Product OPENEYE NAME: 1-pyrimidin-2-yl-3-sulfonyl-thiourea
CAS Name: 1-(2-pyrimidinyl)-3-sulfonylthiourea
IUPAC NAME: 1-pyrimidin-2-yl-3-sulfonylthiourea
SYSTEMATIC NAME: 1-pyrimidin-2-yl-3-sulfonyl-thiourea
MOLECULAR FORMULA: C5H4N4O2S2
MOLECULAR WEIGHT: 216.24086
SMILES: C1=CN=C(N=C1)NC(=S)N=S(=O)=O
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Product OPENEYE NAME: 1,1-dichloroethane; 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-sulfonyl-urea
CAS Name: 1,1-dichloroethane; 1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-3-sulfonylurea
IUPAC NAME: 1,1-dichloroethane; 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-sulfonylurea
SYSTEMATIC NAME: 1,1-bis(chloranyl)ethane; 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-sulfonyl-urea
MOLECULAR FORMULA: C9H9Cl2F3N4O3S
MOLECULAR WEIGHT: 381.15897
SMILES: CC1=CC(=NC(=N1)NC(=O)N=S(=O)=O)C(F)(F)F.CC(Cl)Cl
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Product OPENEYE NAME: 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-sulfonyl-urea
CAS Name: 1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-3-sulfonylurea
IUPAC NAME: 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-sulfonylurea
SYSTEMATIC NAME: 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-sulfonyl-urea
MOLECULAR FORMULA: C7H5F3N4O3S
MOLECULAR WEIGHT: 282.19981
SMILES: CC1=CC(=NC(=N1)NC(=O)N=S(=O)=O)C(F)(F)F
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Product OPENEYE NAME: 1-(4,6-diethylpyrimidin-2-yl)-3-sulfonyl-urea; prop-1-ene
CAS Name: 1-(4,6-diethyl-2-pyrimidinyl)-3-sulfonylurea; 1-propene
IUPAC NAME: 1-(4,6-diethylpyrimidin-2-yl)-3-sulfonylurea; prop-1-ene
SYSTEMATIC NAME: 1-(4,6-diethylpyrimidin-2-yl)-3-sulfonyl-urea; prop-1-ene
MOLECULAR FORMULA: C12H18N4O3S
MOLECULAR WEIGHT: 298.36132
SMILES: CCC1=CC(=NC(=N1)NC(=O)N=S(=O)=O)CC.CC=C
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Product OPENEYE NAME: 1-(4,6-diethylpyrimidin-2-yl)-3-sulfonyl-urea
CAS Name: 1-(4,6-diethyl-2-pyrimidinyl)-3-sulfonylurea
IUPAC NAME: 1-(4,6-diethylpyrimidin-2-yl)-3-sulfonylurea
SYSTEMATIC NAME: 1-(4,6-diethylpyrimidin-2-yl)-3-sulfonyl-urea
MOLECULAR FORMULA: C9H12N4O3S
MOLECULAR WEIGHT: 256.28158
SMILES: CCC1=CC(=NC(=N1)NC(=O)N=S(=O)=O)CC
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Product OPENEYE NAME: chromic trichloride hydrate
CAS Name: chromium(3+) trichloride hydrate
IUPAC NAME: chromium(3+) trichloride hydrate
SYSTEMATIC NAME: chromium(3+) trichloride hydrate
MOLECULAR FORMULA: Cl3CrH2O
MOLECULAR WEIGHT: 176.37038
SMILES: O.[Cl-].[Cl-].[Cl-].[Cr+3]
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Product OPENEYE NAME: 2-(2-butoxyethyl)hexanedioate
CAS Name: 2-(2-butoxyethyl)hexanedioate
IUPAC NAME: 2-(2-butoxyethyl)hexanedioate
SYSTEMATIC NAME: 2-(2-butoxyethyl)hexanedioate
MOLECULAR FORMULA: C12H20O5-2
MOLECULAR WEIGHT: 244.2842
SMILES: CCCCOCCC(CCCC(=O)[O-])C(=O)[O-]
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Product OPENEYE NAME: 2-(2-butoxyethyl)hexanedioic acid
CAS Name: 2-(2-butoxyethyl)hexanedioic acid
IUPAC NAME: 2-(2-butoxyethyl)hexanedioic acid
SYSTEMATIC NAME: 2-(2-butoxyethyl)hexanedioic acid
MOLECULAR FORMULA: C12H22O5
MOLECULAR WEIGHT: 246.30008
SMILES: CCCCOCCC(CCCC(=O)O)C(=O)O
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Product OPENEYE NAME: 2-[1-(1-propylundecyl)tetradecyl]naphthalene-1-sulfonic acid
CAS Name: 2-(11-propylpentacosan-12-yl)-1-naphthalenesulfonic acid
IUPAC NAME: 2-(11-propylpentacosan-12-yl)naphthalene-1-sulfonic acid
SYSTEMATIC NAME: 2-(11-propylpentacosan-12-yl)naphthalene-1-sulfonic acid
MOLECULAR FORMULA: C38H64O3S
MOLECULAR WEIGHT: 600.97796
SMILES: CCCCCCCCCCCCCC(C1=C(C2=CC=CC=C2C=C1)S(=O)(=O)O)C(CCC)CCCCCCCCCC
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Product OPENEYE NAME: 4-(1,1-dimethylpropyl)benzenesulfonic acid
CAS Name: 4-(2-methylbutan-2-yl)benzenesulfonic acid
IUPAC NAME: 4-(2-methylbutan-2-yl)benzenesulfonic acid
SYSTEMATIC NAME: 4-(2-methylbutan-2-yl)benzenesulfonic acid
MOLECULAR FORMULA: C11H16O3S
MOLECULAR WEIGHT: 228.30794
SMILES: CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)O
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Product OPENEYE NAME: 1-(6-methyl-5-bicyclo[2.1.1]hex-4-enyl)pyrrolidin-2-one
CAS Name: 1-(6-methyl-5-bicyclo[2.1.1]hex-4-enyl)-2-pyrrolidinone
IUPAC NAME: 1-(6-methyl-5-bicyclo[2.1.1]hex-4-enyl)pyrrolidin-2-one
SYSTEMATIC NAME: 1-(6-methyl-5-bicyclo[2.1.1]hex-4-enyl)pyrrolidin-2-one
MOLECULAR FORMULA: C11H15NO
MOLECULAR WEIGHT: 177.2429
SMILES: CC1C2CCC1=C2N3CCCC3=O
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Product OPENEYE NAME: 2-(6-methyl-5-bicyclo[2.1.1]hex-4-enyl)pyridine
CAS Name: 2-(6-methyl-5-bicyclo[2.1.1]hex-4-enyl)pyridine
IUPAC NAME: 2-(6-methyl-5-bicyclo[2.1.1]hex-4-enyl)pyridine
SYSTEMATIC NAME: 2-(6-methyl-5-bicyclo[2.1.1]hex-4-enyl)pyridine
MOLECULAR FORMULA: C12H13N
MOLECULAR WEIGHT: 171.23832
SMILES: CC1C2CCC1=C2C3=CC=CC=N3
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Product OPENEYE NAME: 4,5-didodecylnaphthalene-1-sulfonic acid
CAS Name: 4,5-didodecyl-1-naphthalenesulfonic acid
IUPAC NAME: 4,5-didodecylnaphthalene-1-sulfonic acid
SYSTEMATIC NAME: 4,5-didodecylnaphthalene-1-sulfonic acid
MOLECULAR FORMULA: C34H56O3S
MOLECULAR WEIGHT: 544.87164
SMILES: CCCCCCCCCCCCC1=C2C(=C(C=C1)S(=O)(=O)O)C=CC=C2CCCCCCCCCCCC
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Product OPENEYE NAME: chloroplatinum(1+); platinum(4+)
CAS Name: chloroplatinum(1+); platinum(4+)
IUPAC NAME: chloroplatinum(1+); platinum(4+)
SYSTEMATIC NAME: chloranylplatinum(1+); platinum(4+)
MOLECULAR FORMULA: Cl4Pt5+8
MOLECULAR WEIGHT: 1117.202
SMILES: Cl[Pt+].Cl[Pt+].Cl[Pt+].Cl[Pt+].[Pt+4]
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Product OPENEYE NAME: (4-chlorophenyl)-triphenyl-arsonium
CAS Name: (4-chlorophenyl)-triphenylarsonium
IUPAC NAME: (4-chlorophenyl)-triphenylarsanium
SYSTEMATIC NAME: (4-chlorophenyl)-triphenyl-arsanium
MOLECULAR FORMULA: C24H19AsCl+
MOLECULAR WEIGHT: 417.78226
SMILES: C1=CC=C(C=C1)[As+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: benzyl(triphenyl)phosphonium; tetrakis(2,3,4,5,6-pentachlorophenoxy)alumanuide
CAS Name: tetrakis(2,3,4,5,6-pentachlorophenoxy)alumanuide; triphenyl-(phenylmethyl)phosphonium
IUPAC NAME: benzyl(triphenyl)phosphanium; tetrakis(2,3,4,5,6-pentachlorophenoxy)alumanuide
SYSTEMATIC NAME: tetrakis[2,3,4,5,6-pentakis(chloranyl)phenoxy]alumanuide; triphenyl-(phenylmethyl)phosphanium
MOLECULAR FORMULA: C49H22AlCl20O4P
MOLECULAR WEIGHT: 1441.711879
SMILES: C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O[Al-](OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)(OC3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)Cl)OC4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)Cl
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Product OPENEYE NAME: tetrakis(2,3,4,5,6-pentachlorophenoxy)alumanuide
CAS Name: tetrakis(2,3,4,5,6-pentachlorophenoxy)alumanuide
IUPAC NAME: tetrakis(2,3,4,5,6-pentachlorophenoxy)alumanuide
SYSTEMATIC NAME: tetrakis[2,3,4,5,6-pentakis(chloranyl)phenoxy]alumanuide
MOLECULAR FORMULA: C24AlCl20O4-
MOLECULAR WEIGHT: 1088.295938
SMILES: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O[Al-](OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)(OC3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)Cl)OC4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)Cl
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Product OPENEYE NAME: benzyl(triphenyl)phosphonium; tetraphenoxyalumanuide
CAS Name: tetraphenoxyalumanuide; triphenyl-(phenylmethyl)phosphonium
IUPAC NAME: benzyl(triphenyl)phosphanium; tetraphenoxyalumanuide
SYSTEMATIC NAME: tetraphenoxyalumanuide; triphenyl-(phenylmethyl)phosphanium
MOLECULAR FORMULA: C49H42AlO4P
MOLECULAR WEIGHT: 752.810679
SMILES: C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)O[Al-](OC2=CC=CC=C2)(OC3=CC=CC=C3)OC4=CC=CC=C4
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Product OPENEYE NAME: (4-benzylphenyl)-diphenyl-(p-tolyl)phosphonium
CAS Name: (4-methylphenyl)-diphenyl-[4-(phenylmethyl)phenyl]phosphonium
IUPAC NAME: (4-benzylphenyl)-(4-methylphenyl)-diphenylphosphanium
SYSTEMATIC NAME: (4-methylphenyl)-diphenyl-[4-(phenylmethyl)phenyl]phosphanium
MOLECULAR FORMULA: C32H28P+
MOLECULAR WEIGHT: 443.538481
SMILES: CC1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)CC5=CC=CC=C5
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Product OPENEYE NAME: triphenyl(p-tolyl)arsonium
CAS Name: (4-methylphenyl)-triphenylarsonium
IUPAC NAME: (4-methylphenyl)-triphenylarsanium
SYSTEMATIC NAME: (4-methylphenyl)-triphenyl-arsanium
MOLECULAR FORMULA: C25H22As+
MOLECULAR WEIGHT: 397.36378
SMILES: CC1=CC=C(C=C1)[As+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
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