Thursday, September 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 3-[(3-hydroxy-2,4-dimethyl-phenyl)disulfanyl]-2,6-dimethyl-phenol
CAS Name: 3-[(3-hydroxy-2,4-dimethylphenyl)disulfanyl]-2,6-dimethylphenol
IUPAC NAME: 3-[(3-hydroxy-2,4-dimethylphenyl)disulfanyl]-2,6-dimethylphenol
SYSTEMATIC NAME: 3-[(2,4-dimethyl-3-oxidanyl-phenyl)disulfanyl]-2,6-dimethyl-phenol
MOLECULAR FORMULA: C16H18O2S2
MOLECULAR WEIGHT: 306.44292
SMILES: CC1=C(C(=C(C=C1)SSC2=C(C(=C(C=C2)C)O)C)C)O
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Product OPENEYE NAME: 2-ethyl-N-(2-ethylhexoxy)hexan-1-amine
CAS Name: 2-ethyl-N-(2-ethylhexoxy)-1-hexanamine
IUPAC NAME: 2-ethyl-N-(2-ethylhexoxy)hexan-1-amine
SYSTEMATIC NAME: 2-ethyl-N-(2-ethylhexoxy)hexan-1-amine
MOLECULAR FORMULA: C16H35NO
MOLECULAR WEIGHT: 257.4552
SMILES: CCCCC(CC)CNOCC(CC)CCCC
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Product OPENEYE NAME: 3-[2-carboxylatoethyl(octoxy)amino]propanoate; O-octylhydroxylamine
CAS Name: 3-[2-carboxylatoethyl(octoxy)amino]propanoate; O-octylhydroxylamine
IUPAC NAME: 3-[2-carboxylatoethyl(octoxy)amino]propanoate; O-octylhydroxylamine
SYSTEMATIC NAME: 3-[octoxy-(3-oxidanidyl-3-oxidanylidene-propyl)amino]propanoate; O-octylhydroxylamine
MOLECULAR FORMULA: C22H44N2O6-2
MOLECULAR WEIGHT: 432.59456
SMILES: CCCCCCCCON.CCCCCCCCON(CCC(=O)[O-])CCC(=O)[O-]
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Product OPENEYE NAME: 3-[2-carboxyethyl(octoxy)amino]propanoic acid
CAS Name: 3-[2-carboxyethyl(octoxy)amino]propanoic acid
IUPAC NAME: 3-[2-carboxyethyl(octoxy)amino]propanoic acid
SYSTEMATIC NAME: 3-[3-hydroxy-3-oxopropyl(octoxy)amino]propanoic acid
MOLECULAR FORMULA: C14H27NO5
MOLECULAR WEIGHT: 289.36788
SMILES: CCCCCCCCON(CCC(=O)O)CCC(=O)O
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Product OPENEYE NAME: 2,4-bis[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]pentanediamide
CAS Name: 2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]pentanediamide
IUPAC NAME: 2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]pentanediamide
SYSTEMATIC NAME: 2,4-bis[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]pentanediamide
MOLECULAR FORMULA: C35H54N2O4
MOLECULAR WEIGHT: 566.81426
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(CC(CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)N)C(=O)N
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Product OPENEYE NAME: octadecyl 2-(hydroxyamino)acetate
CAS Name: 2-(hydroxyamino)acetic acid octadecyl ester
IUPAC NAME: octadecyl 2-(hydroxyamino)acetate
SYSTEMATIC NAME: octadecyl 2-(oxidanylamino)ethanoate
MOLECULAR FORMULA: C20H41NO3
MOLECULAR WEIGHT: 343.54444
SMILES: CCCCCCCCCCCCCCCCCCOC(=O)CNO
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Product OPENEYE NAME: decyl 2-(hydroxyamino)acetate
CAS Name: 2-(hydroxyamino)acetic acid decyl ester
IUPAC NAME: decyl 2-(hydroxyamino)acetate
SYSTEMATIC NAME: decyl 2-(oxidanylamino)ethanoate
MOLECULAR FORMULA: C12H25NO3
MOLECULAR WEIGHT: 231.3318
SMILES: CCCCCCCCCCOC(=O)CNO
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Product OPENEYE NAME: 2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethyl]-4,6-dimethyl-phenol
CAS Name: 2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-4,6-dimethylphenol
IUPAC NAME: 2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-4,6-dimethylphenol
SYSTEMATIC NAME: 2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethyl]-4,6-dimethyl-phenol
MOLECULAR FORMULA: C24H34O2
MOLECULAR WEIGHT: 354.52556
SMILES: CC1=CC(=C(C(=C1)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)O)C
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Product OPENEYE NAME: [3-acetoxy-4-acetyl-5-(2-amino-8-chloro-purin-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl acetate
CAS Name: acetic acid [4-acetyl-3-acetyloxy-5-(2-amino-8-chloro-9-purinyl)-4-hydroxy-2-oxolanyl]methyl ester
IUPAC NAME: [4-acetyl-3-acetyloxy-5-(2-amino-8-chloropurin-9-yl)-4-hydroxyoxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [3-acetyloxy-5-(2-azanyl-8-chloranyl-purin-9-yl)-4-ethanoyl-4-oxidanyl-oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C16H18ClN5O7
MOLECULAR WEIGHT: 427.79642
SMILES: CC(=O)C1(C(C(OC1N2C3=NC(=NC=C3N=C2Cl)N)COC(=O)C)OC(=O)C)O
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Product OPENEYE NAME: 3-nitro-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; tetradecanoyl chloride
CAS Name: 3-nitro-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; tetradecanoyl chloride
IUPAC NAME: 3-nitro-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; tetradecanoyl chloride
SYSTEMATIC NAME: 3-nitro-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; tetradecanoyl chloride
MOLECULAR FORMULA: C20H30ClNO4
MOLECULAR WEIGHT: 383.9095
SMILES: CCCCCCCCCCCCCC(=O)Cl.C1=CC2=C(C=C1O2)[N+](=O)[O-]
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Product OPENEYE NAME: 4-([1,2,4]triazolo[1,5-c]pyrimidin-5-yl)thiomorpholine
CAS Name: 4-([1,2,4]triazolo[1,5-c]pyrimidin-5-yl)thiomorpholine
IUPAC NAME: 4-([1,2,4]triazolo[1,5-c]pyrimidin-5-yl)thiomorpholine
SYSTEMATIC NAME: 4-([1,2,4]triazolo[1,5-c]pyrimidin-5-yl)thiomorpholine
MOLECULAR FORMULA: C9H11N5S
MOLECULAR WEIGHT: 221.28214
SMILES: C1CSCCN1C2=NC=CC3=NC=NN32
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Product OPENEYE NAME: O-(methyleneamino)hydroxylamine
CAS Name: O-(methyleneamino)hydroxylamine
IUPAC NAME: O-(methylideneamino)hydroxylamine
SYSTEMATIC NAME: O-(methylideneamino)hydroxylamine
MOLECULAR FORMULA: CH4N2O
MOLECULAR WEIGHT: 60.05526
SMILES: C=NON
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Product OPENEYE NAME: 2-[4-(2,4-dibromo-5-methoxy-phenyl)sulfanyl-3-methyl-phenyl]-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CAS Name: 2-[4-[(2,4-dibromo-5-methoxyphenyl)thio]-3-methylphenyl]-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one
IUPAC NAME: 2-[4-(2,4-dibromo-5-methoxyphenyl)sulfanyl-3-methylphenyl]-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one
SYSTEMATIC NAME: 2-[4-[2,4-bis(bromanyl)-5-methoxy-phenyl]sulfanyl-3-methyl-phenyl]-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one
MOLECULAR FORMULA: C19H14Br2N4O2S
MOLECULAR WEIGHT: 522.21306
SMILES: CC1=C(C=CC(=C1)C2=NC(=O)N3C(=N2)C=CN3)SC4=C(C=C(C(=C4)OC)Br)Br
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Product OPENEYE NAME: 2-phenyl-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CAS Name: 2-phenyl-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one
IUPAC NAME: 2-phenyl-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one
SYSTEMATIC NAME: 2-phenyl-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one
MOLECULAR FORMULA: C11H8N4O
MOLECULAR WEIGHT: 212.20742
SMILES: C1=CC=C(C=C1)C2=NC(=O)N3C(=N2)C=CN3
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Product OPENEYE NAME: 1,3,5-triazine dihydrate
CAS Name: 1,3,5-triazine dihydrate
IUPAC NAME: 1,3,5-triazine dihydrate
SYSTEMATIC NAME: 1,3,5-triazine dihydrate
MOLECULAR FORMULA: C3H7N3O2
MOLECULAR WEIGHT: 117.10658
SMILES: C1=NC=NC=N1.O.O
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Product OPENEYE NAME: N-(4-ethylphenyl)-4-(4-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-2-yl)benzenesulfonamide
CAS Name: N-(4-ethylphenyl)-4-(4-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-2-yl)benzenesulfonamide
IUPAC NAME: N-(4-ethylphenyl)-4-(4-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-2-yl)benzenesulfonamide
SYSTEMATIC NAME: N-(4-ethylphenyl)-4-(4-oxidanylidene-6H-pyrazolo[1,5-a][1,3,5]triazin-2-yl)benzenesulfonamide
MOLECULAR FORMULA: C19H17N5O3S
MOLECULAR WEIGHT: 395.43498
SMILES: CCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=NC(=O)N4C(=N3)C=CN4
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Product OPENEYE NAME: N-(4-chlorophenyl)-4-(4-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-2-yl)benzenesulfonamide
CAS Name: N-(4-chlorophenyl)-4-(4-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-2-yl)benzenesulfonamide
IUPAC NAME: N-(4-chlorophenyl)-4-(4-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-2-yl)benzenesulfonamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-4-(4-oxidanylidene-6H-pyrazolo[1,5-a][1,3,5]triazin-2-yl)benzenesulfonamide
MOLECULAR FORMULA: C17H12ClN5O3S
MOLECULAR WEIGHT: 401.82688
SMILES: C1=CC(=CC=C1C2=NC(=O)N3C(=N2)C=CN3)S(=O)(=O)NC4=CC=C(C=C4)Cl
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