Thursday, September 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2,6-ditert-butyl-4-(3-pyrrol-1-ylpropyl)phenol
CAS Name: 2,6-ditert-butyl-4-[3-(1-pyrrolyl)propyl]phenol
IUPAC NAME: 2,6-ditert-butyl-4-(3-pyrrol-1-ylpropyl)phenol
SYSTEMATIC NAME: 2,6-ditert-butyl-4-(3-pyrrol-1-ylpropyl)phenol
MOLECULAR FORMULA: C21H31NO
MOLECULAR WEIGHT: 313.47694
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCN2C=CC=C2
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Product OPENEYE NAME: 1-[5-chloro-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-1H-pyrrol-3-yl]propan-1-one
CAS Name: 1-[5-chloro-4-(3,5-ditert-butyl-4-hydroxyphenyl)-1H-pyrrol-3-yl]-1-propanone
IUPAC NAME: 1-[5-chloro-4-(3,5-ditert-butyl-4-hydroxyphenyl)-1H-pyrrol-3-yl]propan-1-one
SYSTEMATIC NAME: 1-[5-chloranyl-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1H-pyrrol-3-yl]propan-1-one
MOLECULAR FORMULA: C21H28ClNO2
MOLECULAR WEIGHT: 361.90552
SMILES: CCC(=O)C1=CNC(=C1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)Cl
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Product OPENEYE NAME: (3,4-ditert-butyl-4-hydroxy-cyclohexa-2,5-dien-1-yl)-(1-methylpyrrol-3-yl)methanone
CAS Name: (3,4-ditert-butyl-4-hydroxy-1-cyclohexa-2,5-dienyl)-(1-methyl-3-pyrrolyl)methanone
IUPAC NAME: (3,4-ditert-butyl-4-hydroxycyclohexa-2,5-dien-1-yl)-(1-methylpyrrol-3-yl)methanone
SYSTEMATIC NAME: (3,4-ditert-butyl-4-oxidanyl-cyclohexa-2,5-dien-1-yl)-(1-methylpyrrol-3-yl)methanone
MOLECULAR FORMULA: C20H29NO2
MOLECULAR WEIGHT: 315.44976
SMILES: CC(C)(C)C1=CC(C=CC1(C(C)(C)C)O)C(=O)C2=CN(C=C2)C
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Product OPENEYE NAME: 2-[2,3-dibromo-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-ethyl-pyrrol-1-ium-1-yl]acetaldehyde
CAS Name: 2-[2,3-dibromo-4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-ethyl-1-pyrrol-1-iumyl]acetaldehyde
IUPAC NAME: 2-[2,3-dibromo-4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-ethylpyrrol-1-ium-1-yl]acetaldehyde
SYSTEMATIC NAME: 2-[2,3-bis(bromanyl)-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-ethyl-pyrrol-1-ium-1-yl]ethanal
MOLECULAR FORMULA: C22H30Br2NO2+
MOLECULAR WEIGHT: 500.2871
SMILES: CC[N+]1(C=C(C(=C1Br)Br)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)CC=O
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Product OPENEYE NAME: 1-[5-(3,5-ditert-butyl-4-hydroxy-phenyl)-5-methylsulfanyl-pyrrol-3-yl]ethanone
CAS Name: 1-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-5-(methylthio)-3-pyrrolyl]ethanone
IUPAC NAME: 1-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-5-methylsulfanylpyrrol-3-yl]ethanone
SYSTEMATIC NAME: 1-[5-(3,5-ditert-butyl-4-oxidanyl-phenyl)-5-methylsulfanyl-pyrrol-3-yl]ethanone
MOLECULAR FORMULA: C21H29NO2S
MOLECULAR WEIGHT: 359.52546
SMILES: CC(=O)C1=CC(N=C1)(C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)SC
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Product OPENEYE NAME: 2-[1-benzyl-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-ethylsulfanyl-pyrrol-1-ium-1-yl]acetaldehyde
CAS Name: 2-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(ethylthio)-1-(phenylmethyl)-1-pyrrol-1-iumyl]acetaldehyde
IUPAC NAME: 2-[1-benzyl-4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-ethylsulfanylpyrrol-1-ium-1-yl]acetaldehyde
SYSTEMATIC NAME: 2-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-ethylsulfanyl-1-(phenylmethyl)pyrrol-1-ium-1-yl]ethanal
MOLECULAR FORMULA: C29H38NO2S+
MOLECULAR WEIGHT: 464.68252
SMILES: CCSC1=CC(=C[N+]1(CC=O)CC2=CC=CC=C2)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C
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Product OPENEYE NAME: 1-[5-bromo-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-1H-pyrrol-3-yl]propan-1-one
CAS Name: 1-[5-bromo-4-(3,5-ditert-butyl-4-hydroxyphenyl)-1H-pyrrol-3-yl]-1-propanone
IUPAC NAME: 1-[5-bromo-4-(3,5-ditert-butyl-4-hydroxyphenyl)-1H-pyrrol-3-yl]propan-1-one
SYSTEMATIC NAME: 1-[5-bromanyl-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1H-pyrrol-3-yl]propan-1-one
MOLECULAR FORMULA: C21H28BrNO2
MOLECULAR WEIGHT: 406.35652
SMILES: CCC(=O)C1=CNC(=C1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)Br
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Product OPENEYE NAME: (2-hydroxyphenyl)-(1H-pyrrol-3-yl)methanone
CAS Name: (2-hydroxyphenyl)-(1H-pyrrol-3-yl)methanone
IUPAC NAME: (2-hydroxyphenyl)-(1H-pyrrol-3-yl)methanone
SYSTEMATIC NAME: (2-hydroxyphenyl)-(1H-pyrrol-3-yl)methanone
MOLECULAR FORMULA: C11H9NO2
MOLECULAR WEIGHT: 187.19466
SMILES: C1=CC=C(C(=C1)C(=O)C2=CNC=C2)O
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Product OPENEYE NAME: 1-[1-benzyl-2,5-dichloro-4-(3,5-ditert-butyl-4-hydroxy-phenyl)pyrrol-3-yl]propan-1-one
CAS Name: 1-[2,5-dichloro-4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(phenylmethyl)-3-pyrrolyl]-1-propanone
IUPAC NAME: 1-[1-benzyl-2,5-dichloro-4-(3,5-ditert-butyl-4-hydroxyphenyl)pyrrol-3-yl]propan-1-one
SYSTEMATIC NAME: 1-[2,5-bis(chloranyl)-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-(phenylmethyl)pyrrol-3-yl]propan-1-one
MOLECULAR FORMULA: C28H33Cl2NO2
MOLECULAR WEIGHT: 486.47312
SMILES: CCC(=O)C1=C(N(C(=C1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)Cl)CC3=CC=CC=C3)Cl
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Product OPENEYE NAME: 2-[1-benzyl-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-methylsulfinyl-pyrrol-1-ium-1-yl]acetaldehyde
CAS Name: 2-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methylsulfinyl-1-(phenylmethyl)-1-pyrrol-1-iumyl]acetaldehyde
IUPAC NAME: 2-[1-benzyl-4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methylsulfinylpyrrol-1-ium-1-yl]acetaldehyde
SYSTEMATIC NAME: 2-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-methylsulfinyl-1-(phenylmethyl)pyrrol-1-ium-1-yl]ethanal
MOLECULAR FORMULA: C28H36NO3S+
MOLECULAR WEIGHT: 466.65534
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=C[N+](C(=C2)S(=O)C)(CC=O)CC3=CC=CC=C3
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Product OPENEYE NAME: 2,6-ditert-butyl-4-[[1-ethyl-4,5-bis[(2-isopropyl-5-methyl-cyclohexyl)sulfinyl]pyrrol-3-yl]methyl]phenol
CAS Name: 2,6-ditert-butyl-4-[[1-ethyl-4,5-bis[(5-methyl-2-propan-2-ylcyclohexyl)sulfinyl]-3-pyrrolyl]methyl]phenol
IUPAC NAME: 2,6-ditert-butyl-4-[[1-ethyl-4,5-bis[(5-methyl-2-propan-2-ylcyclohexyl)sulfinyl]pyrrol-3-yl]methyl]phenol
SYSTEMATIC NAME: 2,6-ditert-butyl-4-[[1-ethyl-4,5-bis[(5-methyl-2-propan-2-yl-cyclohexyl)sulfinyl]pyrrol-3-yl]methyl]phenol
MOLECULAR FORMULA: C41H67NO3S2
MOLECULAR WEIGHT: 686.10558
SMILES: CCN1C=C(C(=C1S(=O)C2CC(CCC2C(C)C)C)S(=O)C3CC(CCC3C(C)C)C)CC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C
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Product OPENEYE NAME: (3,5-ditert-butyl-4-hydroxy-phenyl)-pyrrol-1-yl-methanone
CAS Name: (3,5-ditert-butyl-4-hydroxyphenyl)-(1-pyrrolyl)methanone
IUPAC NAME: (3,5-ditert-butyl-4-hydroxyphenyl)-pyrrol-1-ylmethanone
SYSTEMATIC NAME: (3,5-ditert-butyl-4-oxidanyl-phenyl)-pyrrol-1-yl-methanone
MOLECULAR FORMULA: C19H25NO2
MOLECULAR WEIGHT: 299.4073
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)N2C=CC=C2
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Product OPENEYE NAME: 2,6-ditert-butyl-4-(2-pyrrol-1-ylethyl)phenol
CAS Name: 2,6-ditert-butyl-4-[2-(1-pyrrolyl)ethyl]phenol
IUPAC NAME: 2,6-ditert-butyl-4-(2-pyrrol-1-ylethyl)phenol
SYSTEMATIC NAME: 2,6-ditert-butyl-4-(2-pyrrol-1-ylethyl)phenol
MOLECULAR FORMULA: C20H29NO
MOLECULAR WEIGHT: 299.45036
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCN2C=CC=C2
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Product OPENEYE NAME: 2-[2-bromo-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-ethyl-pyrrol-1-ium-1-yl]acetaldehyde
CAS Name: 2-[2-bromo-4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-ethyl-1-pyrrol-1-iumyl]acetaldehyde
IUPAC NAME: 2-[2-bromo-4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-ethylpyrrol-1-ium-1-yl]acetaldehyde
SYSTEMATIC NAME: 2-[2-bromanyl-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-ethyl-pyrrol-1-ium-1-yl]ethanal
MOLECULAR FORMULA: C22H31BrNO2+
MOLECULAR WEIGHT: 421.39104
SMILES: CC[N+]1(C=C(C=C1Br)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)CC=O
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Product OPENEYE NAME: [4-acetyl-2-(3,5-ditert-butyl-4-hydroxy-benzoyl)-1H-pyrrol-3-yl] thiocyanate
CAS Name: thiocyanic acid [4-acetyl-2-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]-1H-pyrrol-3-yl] ester
IUPAC NAME: [4-acetyl-2-(3,5-ditert-butyl-4-hydroxybenzoyl)-1H-pyrrol-3-yl] thiocyanate
SYSTEMATIC NAME: [2-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyl-4-ethanoyl-1H-pyrrol-3-yl] thiocyanate
MOLECULAR FORMULA: C22H26N2O3S
MOLECULAR WEIGHT: 398.51844
SMILES: CC(=O)C1=CNC(=C1SC#N)C(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
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Product OPENEYE NAME: 1-[4,5-dichloro-4-(3,5-ditert-butyl-4-hydroxy-phenyl)pyrrol-3-yl]propan-1-one
CAS Name: 1-[4,5-dichloro-4-(3,5-ditert-butyl-4-hydroxyphenyl)-3-pyrrolyl]-1-propanone
IUPAC NAME: 1-[4,5-dichloro-4-(3,5-ditert-butyl-4-hydroxyphenyl)pyrrol-3-yl]propan-1-one
SYSTEMATIC NAME: 1-[4,5-bis(chloranyl)-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)pyrrol-3-yl]propan-1-one
MOLECULAR FORMULA: C21H27Cl2NO2
MOLECULAR WEIGHT: 396.35058
SMILES: CCC(=O)C1=CN=C(C1(C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)Cl)Cl
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Product OPENEYE NAME: S-[1-benzyl-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-(2-oxoethyl)pyrrol-1-ium-2-yl] ethanethioate
CAS Name: ethanethioic acid S-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(2-oxoethyl)-1-(phenylmethyl)-2-pyrrol-1-iumyl] ester
IUPAC NAME: S-[1-benzyl-4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(2-oxoethyl)pyrrol-1-ium-2-yl] ethanethioate
SYSTEMATIC NAME: S-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-(2-oxidanylideneethyl)-1-(phenylmethyl)pyrrol-1-ium-2-yl] ethanethioate
MOLECULAR FORMULA: C29H36NO3S+
MOLECULAR WEIGHT: 478.66604
SMILES: CC(=O)SC1=CC(=C[N+]1(CC=O)CC2=CC=CC=C2)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C
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