Thursday, September 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: [5-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)acetyl]-1H-pyrrol-3-yl] thiocyanate
CAS Name: thiocyanic acid [5-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxoethyl]-1H-pyrrol-3-yl] ester
IUPAC NAME: [5-[2-(3,5-ditert-butyl-4-hydroxyphenyl)acetyl]-1H-pyrrol-3-yl] thiocyanate
SYSTEMATIC NAME: [5-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanoyl]-1H-pyrrol-3-yl] thiocyanate
MOLECULAR FORMULA: C21H26N2O2S
MOLECULAR WEIGHT: 370.50834
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=O)C2=CC(=CN2)SC#N
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Product OPENEYE NAME: 2-[2,3,5-trichloro-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-1H-pyrrol-1-ium-1-yl]acetaldehyde chloride
CAS Name: 2-[2,3,5-trichloro-4-(3,5-ditert-butyl-4-hydroxyphenyl)-1H-pyrrol-1-ium-1-yl]acetaldehyde chloride
IUPAC NAME: 2-[2,3,5-trichloro-4-(3,5-ditert-butyl-4-hydroxyphenyl)-1H-pyrrol-1-ium-1-yl]acetaldehyde chloride
SYSTEMATIC NAME: 2-[2,3,5-tris(chloranyl)-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1H-pyrrol-1-ium-1-yl]ethanal chloride
MOLECULAR FORMULA: C20H25Cl4NO2
MOLECULAR WEIGHT: 453.23
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=C([NH+](C(=C2Cl)Cl)CC=O)Cl.[Cl-]
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Product OPENEYE NAME: 2-[2,3,5-trichloro-4-(3,5-ditert-butyl-4-hydroxy-phenyl)pyrrol-1-yl]acetaldehyde
CAS Name: 2-[2,3,5-trichloro-4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-pyrrolyl]acetaldehyde
IUPAC NAME: 2-[2,3,5-trichloro-4-(3,5-ditert-butyl-4-hydroxyphenyl)pyrrol-1-yl]acetaldehyde
SYSTEMATIC NAME: 2-[2,3,5-tris(chloranyl)-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)pyrrol-1-yl]ethanal
MOLECULAR FORMULA: C20H24Cl3NO2
MOLECULAR WEIGHT: 416.76906
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=C(N(C(=C2Cl)Cl)CC=O)Cl
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Product OPENEYE NAME: 2-[1-benzyl-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-methylsulfonyl-pyrrol-1-ium-1-yl]acetaldehyde
CAS Name: 2-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methylsulfonyl-1-(phenylmethyl)-1-pyrrol-1-iumyl]acetaldehyde
IUPAC NAME: 2-[1-benzyl-4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methylsulfonylpyrrol-1-ium-1-yl]acetaldehyde
SYSTEMATIC NAME: 2-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-methylsulfonyl-1-(phenylmethyl)pyrrol-1-ium-1-yl]ethanal
MOLECULAR FORMULA: C28H36NO4S+
MOLECULAR WEIGHT: 482.65474
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=C[N+](C(=C2)S(=O)(=O)C)(CC=O)CC3=CC=CC=C3
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Product OPENEYE NAME: 1-[5-bromo-5-(3,5-ditert-butyl-4-hydroxy-phenyl)pyrrol-3-yl]ethanone
CAS Name: 1-[5-bromo-5-(3,5-ditert-butyl-4-hydroxyphenyl)-3-pyrrolyl]ethanone
IUPAC NAME: 1-[5-bromo-5-(3,5-ditert-butyl-4-hydroxyphenyl)pyrrol-3-yl]ethanone
SYSTEMATIC NAME: 1-[5-bromanyl-5-(3,5-ditert-butyl-4-oxidanyl-phenyl)pyrrol-3-yl]ethanone
MOLECULAR FORMULA: C20H26BrNO2
MOLECULAR WEIGHT: 392.32994
SMILES: CC(=O)C1=CC(N=C1)(C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)Br
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Product OPENEYE NAME: [4-(4-butyl-3,5-ditert-butyl-4-hydroxy-cyclohexa-2,5-diene-1-carbonyl)-1H-pyrrol-2-yl] thiocyanate
CAS Name: thiocyanic acid [4-[(4-butyl-3,5-ditert-butyl-4-hydroxy-1-cyclohexa-2,5-dienyl)-oxomethyl]-1H-pyrrol-2-yl] ester
IUPAC NAME: [4-(4-butyl-3,5-ditert-butyl-4-hydroxycyclohexa-2,5-diene-1-carbonyl)-1H-pyrrol-2-yl] thiocyanate
SYSTEMATIC NAME: [4-(4-butyl-3,5-ditert-butyl-4-oxidanyl-cyclohexa-2,5-dien-1-yl)carbonyl-1H-pyrrol-2-yl] thiocyanate
MOLECULAR FORMULA: C24H34N2O2S
MOLECULAR WEIGHT: 414.60396
SMILES: CCCCC1(C(=CC(C=C1C(C)(C)C)C(=O)C2=CNC(=C2)SC#N)C(C)(C)C)O
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Product OPENEYE NAME: 2-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)-1,2-diethyl-pyrrol-1-ium-1-yl]acetaldehyde
CAS Name: 2-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2-diethyl-1-pyrrol-1-iumyl]acetaldehyde
IUPAC NAME: 2-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1,2-diethylpyrrol-1-ium-1-yl]acetaldehyde
SYSTEMATIC NAME: 2-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1,2-diethyl-pyrrol-1-ium-1-yl]ethanal
MOLECULAR FORMULA: C24H36NO2+
MOLECULAR WEIGHT: 370.54814
SMILES: CCC1=CC(=C[N+]1(CC)CC=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
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Product OPENEYE NAME: (3,5-ditert-butyl-4-hydroxy-phenyl)-[1-ethyl-4,5-bis(methylsulfinyl)pyrrol-3-yl]methanone
CAS Name: (3,5-ditert-butyl-4-hydroxyphenyl)-[1-ethyl-4,5-bis(methylsulfinyl)-3-pyrrolyl]methanone
IUPAC NAME: (3,5-ditert-butyl-4-hydroxyphenyl)-[1-ethyl-4,5-bis(methylsulfinyl)pyrrol-3-yl]methanone
SYSTEMATIC NAME: (3,5-ditert-butyl-4-oxidanyl-phenyl)-[1-ethyl-4,5-bis(methylsulfinyl)pyrrol-3-yl]methanone
MOLECULAR FORMULA: C23H33NO4S2
MOLECULAR WEIGHT: 451.64242
SMILES: CCN1C=C(C(=C1S(=O)C)S(=O)C)C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
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Product OPENEYE NAME: 2-[2,5-dichloro-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-ethyl-pyrrol-1-ium-1-yl]acetaldehyde
CAS Name: 2-[2,5-dichloro-3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-ethyl-1-pyrrol-1-iumyl]acetaldehyde
IUPAC NAME: 2-[2,5-dichloro-3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-ethylpyrrol-1-ium-1-yl]acetaldehyde
SYSTEMATIC NAME: 2-[2,5-bis(chloranyl)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-ethyl-pyrrol-1-ium-1-yl]ethanal
MOLECULAR FORMULA: C22H30Cl2NO2+
MOLECULAR WEIGHT: 411.3851
SMILES: CC[N+]1(C(=CC(=C1Cl)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)Cl)CC=O
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Product OPENEYE NAME: 1-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-methyl-5-methylsulfinyl-pyrrol-3-yl]propan-1-one
CAS Name: 1-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-methyl-5-methylsulfinyl-3-pyrrolyl]-1-propanone
IUPAC NAME: 1-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-methyl-5-methylsulfinylpyrrol-3-yl]propan-1-one
SYSTEMATIC NAME: 1-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-methyl-5-methylsulfinyl-pyrrol-3-yl]propan-1-one
MOLECULAR FORMULA: C23H33NO3S
MOLECULAR WEIGHT: 403.57802
SMILES: CCC(=O)C1=CN(C(=C1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)S(=O)C)C
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Product OPENEYE NAME: 1-[2,4,5-trichloro-3-(3,5-ditert-butyl-4-hydroxy-phenyl)pyrrol-3-yl]propan-1-one
CAS Name: 1-[2,4,5-trichloro-3-(3,5-ditert-butyl-4-hydroxyphenyl)-3-pyrrolyl]-1-propanone
IUPAC NAME: 1-[2,4,5-trichloro-3-(3,5-ditert-butyl-4-hydroxyphenyl)pyrrol-3-yl]propan-1-one
SYSTEMATIC NAME: 1-[2,4,5-tris(chloranyl)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)pyrrol-3-yl]propan-1-one
MOLECULAR FORMULA: C21H26Cl3NO2
MOLECULAR WEIGHT: 430.79564
SMILES: CCC(=O)C1(C(=C(N=C1Cl)Cl)Cl)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
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Product OPENEYE NAME: 2-[2-chloro-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-ethyl-pyrrol-1-ium-1-yl]acetaldehyde
CAS Name: 2-[2-chloro-4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-ethyl-1-pyrrol-1-iumyl]acetaldehyde
IUPAC NAME: 2-[2-chloro-4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-ethylpyrrol-1-ium-1-yl]acetaldehyde
SYSTEMATIC NAME: 2-[2-chloranyl-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-ethyl-pyrrol-1-ium-1-yl]ethanal
MOLECULAR FORMULA: C22H31ClNO2+
MOLECULAR WEIGHT: 376.94004
SMILES: CC[N+]1(C=C(C=C1Cl)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)CC=O
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Product OPENEYE NAME: 2-[1-benzyl-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-methylsulfanyl-pyrrol-1-ium-1-yl]acetaldehyde
CAS Name: 2-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(methylthio)-1-(phenylmethyl)-1-pyrrol-1-iumyl]acetaldehyde
IUPAC NAME: 2-[1-benzyl-4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methylsulfanylpyrrol-1-ium-1-yl]acetaldehyde
SYSTEMATIC NAME: 2-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-methylsulfanyl-1-(phenylmethyl)pyrrol-1-ium-1-yl]ethanal
MOLECULAR FORMULA: C28H36NO2S+
MOLECULAR WEIGHT: 450.65594
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=C[N+](C(=C2)SC)(CC=O)CC3=CC=CC=C3
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Product OPENEYE NAME: (3,4-ditert-butyl-4-hydroxy-cyclohexa-2,5-dien-1-yl)-pyrrol-1-yl-methanone
CAS Name: (3,4-ditert-butyl-4-hydroxy-1-cyclohexa-2,5-dienyl)-(1-pyrrolyl)methanone
IUPAC NAME: (3,4-ditert-butyl-4-hydroxycyclohexa-2,5-dien-1-yl)-pyrrol-1-ylmethanone
SYSTEMATIC NAME: (3,4-ditert-butyl-4-oxidanyl-cyclohexa-2,5-dien-1-yl)-pyrrol-1-yl-methanone
MOLECULAR FORMULA: C19H27NO2
MOLECULAR WEIGHT: 301.42318
SMILES: CC(C)(C)C1=CC(C=CC1(C(C)(C)C)O)C(=O)N2C=CC=C2
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