Thursday, September 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: S-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-methyl-4-propanoyl-pyrrol-2-yl] ethanethioate
CAS Name: ethanethioic acid S-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-methyl-4-(1-oxopropyl)-2-pyrrolyl] ester
IUPAC NAME: S-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-methyl-4-propanoylpyrrol-2-yl] ethanethioate
SYSTEMATIC NAME: S-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-methyl-4-propanoyl-pyrrol-2-yl] ethanethioate
MOLECULAR FORMULA: C24H33NO3S
MOLECULAR WEIGHT: 415.58872
SMILES: CCC(=O)C1=CN(C(=C1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)SC(=O)C)C
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Product OPENEYE NAME: (2-chloro-1H-pyrrol-3-yl)-(3,5-ditert-butyl-4-hydroxy-phenyl)methanone
CAS Name: (2-chloro-1H-pyrrol-3-yl)-(3,5-ditert-butyl-4-hydroxyphenyl)methanone
IUPAC NAME: (2-chloro-1H-pyrrol-3-yl)-(3,5-ditert-butyl-4-hydroxyphenyl)methanone
SYSTEMATIC NAME: (2-chloranyl-1H-pyrrol-3-yl)-(3,5-ditert-butyl-4-oxidanyl-phenyl)methanone
MOLECULAR FORMULA: C19H24ClNO2
MOLECULAR WEIGHT: 333.85236
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C2=C(NC=C2)Cl
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Product OPENEYE NAME: 1-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-methyl-pyrrol-3-yl]ethanone
CAS Name: 1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-1-methyl-3-pyrrolyl]ethanone
IUPAC NAME: 1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-1-methylpyrrol-3-yl]ethanone
SYSTEMATIC NAME: 1-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-methyl-pyrrol-3-yl]ethanone
MOLECULAR FORMULA: C21H29NO2
MOLECULAR WEIGHT: 327.46046
SMILES: CC(=O)C1=C(N(C=C1)C)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
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Product OPENEYE NAME: 1-[2,5-dichloro-5-(3,5-ditert-butyl-4-hydroxy-phenyl)pyrrol-3-yl]ethanone
CAS Name: 1-[2,5-dichloro-5-(3,5-ditert-butyl-4-hydroxyphenyl)-3-pyrrolyl]ethanone
IUPAC NAME: 1-[2,5-dichloro-5-(3,5-ditert-butyl-4-hydroxyphenyl)pyrrol-3-yl]ethanone
SYSTEMATIC NAME: 1-[2,5-bis(chloranyl)-5-(3,5-ditert-butyl-4-oxidanyl-phenyl)pyrrol-3-yl]ethanone
MOLECULAR FORMULA: C20H25Cl2NO2
MOLECULAR WEIGHT: 382.324
SMILES: CC(=O)C1=CC(N=C1Cl)(C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)Cl
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Product OPENEYE NAME: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-pyrrol-1-yl-ethanone
CAS Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(1-pyrrolyl)ethanone
IUPAC NAME: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-1-pyrrol-1-ylethanone
SYSTEMATIC NAME: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-pyrrol-1-yl-ethanone
MOLECULAR FORMULA: C20H27NO2
MOLECULAR WEIGHT: 313.43388
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=O)N2C=CC=C2
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Product OPENEYE NAME: S-[2,5-bis(acetylsulfanyl)-4-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-1H-pyrrol-3-yl] ethanethioate
CAS Name: ethanethioic acid S-[2,5-bis(acetylthio)-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1H-pyrrol-3-yl] ester
IUPAC NAME: S-[2,5-bis(acetylsulfanyl)-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1H-pyrrol-3-yl] ethanethioate
SYSTEMATIC NAME: S-[4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-2,5-bis(ethanoylsulfanyl)-1H-pyrrol-3-yl] ethanethioate
MOLECULAR FORMULA: C25H33NO4S3
MOLECULAR WEIGHT: 507.72882
SMILES: CC(=O)SC1=C(NC(=C1CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)SC(=O)C)SC(=O)C
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Product OPENEYE NAME: 2-[2-chloro-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-methyl-pyrrol-1-ium-1-yl]acetaldehyde
CAS Name: 2-[2-chloro-4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-methyl-1-pyrrol-1-iumyl]acetaldehyde
IUPAC NAME: 2-[2-chloro-4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-methylpyrrol-1-ium-1-yl]acetaldehyde
SYSTEMATIC NAME: 2-[2-chloranyl-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-methyl-pyrrol-1-ium-1-yl]ethanal
MOLECULAR FORMULA: C21H29ClNO2+
MOLECULAR WEIGHT: 362.91346
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=C[N+](C(=C2)Cl)(C)CC=O
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Product OPENEYE NAME: 1-[1-benzyl-2-(3,5-ditert-butyl-4-hydroxy-phenyl)pyrrol-3-yl]ethanone
CAS Name: 1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(phenylmethyl)-3-pyrrolyl]ethanone
IUPAC NAME: 1-[1-benzyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)pyrrol-3-yl]ethanone
SYSTEMATIC NAME: 1-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-(phenylmethyl)pyrrol-3-yl]ethanone
MOLECULAR FORMULA: C27H33NO2
MOLECULAR WEIGHT: 403.55642
SMILES: CC(=O)C1=C(N(C=C1)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: 2-[2,3-dichloro-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-ethyl-pyrrol-1-ium-1-yl]acetaldehyde
CAS Name: 2-[2,3-dichloro-4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-ethyl-1-pyrrol-1-iumyl]acetaldehyde
IUPAC NAME: 2-[2,3-dichloro-4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-ethylpyrrol-1-ium-1-yl]acetaldehyde
SYSTEMATIC NAME: 2-[2,3-bis(chloranyl)-4-(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=C(C(=C1Cl)Cl)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)CC=O
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Product OPENEYE NAME: [3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-methyl-4-propanoyl-pyrrol-2-yl] thiocyanate
CAS Name: thiocyanic acid [3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-methyl-4-(1-oxopropyl)-2-pyrrolyl] ester
IUPAC NAME: [3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-methyl-4-propanoylpyrrol-2-yl] thiocyanate
SYSTEMATIC NAME: [3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-methyl-4-propanoyl-pyrrol-2-yl] thiocyanate
MOLECULAR FORMULA: C23H30N2O2S
MOLECULAR WEIGHT: 398.5615
SMILES: CCC(=O)C1=CN(C(=C1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)SC#N)C
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Product OPENEYE NAME: 1-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-ethyl-pyrrol-3-yl]ethanone
CAS Name: 1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-1-ethyl-3-pyrrolyl]ethanone
IUPAC NAME: 1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-1-ethylpyrrol-3-yl]ethanone
SYSTEMATIC NAME: 1-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-ethyl-pyrrol-3-yl]ethanone
MOLECULAR FORMULA: C22H31NO2
MOLECULAR WEIGHT: 341.48704
SMILES: CCN1C=CC(=C1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)C
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Product OPENEYE NAME: [4-(3,5-ditert-butyl-4-hydroxy-phenyl)-1H-pyrrol-2-yl] thiocyanate
CAS Name: thiocyanic acid [4-(3,5-ditert-butyl-4-hydroxyphenyl)-1H-pyrrol-2-yl] ester
IUPAC NAME: [4-(3,5-ditert-butyl-4-hydroxyphenyl)-1H-pyrrol-2-yl] thiocyanate
SYSTEMATIC NAME: [4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1H-pyrrol-2-yl] thiocyanate
MOLECULAR FORMULA: C19H24N2OS
MOLECULAR WEIGHT: 328.47166
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CNC(=C2)SC#N
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Product OPENEYE NAME: 1-[2,5-dichloro-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-1H-pyrrol-3-yl]propan-1-one
CAS Name: 1-[2,5-dichloro-4-(3,5-ditert-butyl-4-hydroxyphenyl)-1H-pyrrol-3-yl]-1-propanone
IUPAC NAME: 1-[2,5-dichloro-4-(3,5-ditert-butyl-4-hydroxyphenyl)-1H-pyrrol-3-yl]propan-1-one
SYSTEMATIC NAME: 1-[2,5-bis(chloranyl)-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1H-pyrrol-3-yl]propan-1-one
MOLECULAR FORMULA: C21H27Cl2NO2
MOLECULAR WEIGHT: 396.35058
SMILES: CCC(=O)C1=C(NC(=C1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)Cl)Cl
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Product OPENEYE NAME: 1-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-methyl-5-methylsulfonyl-pyrrol-3-yl]propan-1-one
CAS Name: 1-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-methyl-5-methylsulfonyl-3-pyrrolyl]-1-propanone
IUPAC NAME: 1-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-methyl-5-methylsulfonylpyrrol-3-yl]propan-1-one
SYSTEMATIC NAME: 1-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-methyl-5-methylsulfonyl-pyrrol-3-yl]propan-1-one
MOLECULAR FORMULA: C23H33NO4S
MOLECULAR WEIGHT: 419.57742
SMILES: CCC(=O)C1=CN(C(=C1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)S(=O)(=O)C)C
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Product OPENEYE NAME: 1-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-methyl-5-methylsulfanyl-pyrrol-3-yl]propan-1-one
CAS Name: 1-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-methyl-5-(methylthio)-3-pyrrolyl]-1-propanone
IUPAC NAME: 1-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-methyl-5-methylsulfanylpyrrol-3-yl]propan-1-one
SYSTEMATIC NAME: 1-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-methyl-5-methylsulfanyl-pyrrol-3-yl]propan-1-one
MOLECULAR FORMULA: C23H33NO2S
MOLECULAR WEIGHT: 387.57862
SMILES: CCC(=O)C1=CN(C(=C1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)SC)C
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Product OPENEYE NAME: 1-[2,4,5-trichloro-2-(3,5-ditert-butyl-4-hydroxy-phenyl)pyrrol-3-yl]ethanone
CAS Name: 1-[2,4,5-trichloro-2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-pyrrolyl]ethanone
IUPAC NAME: 1-[2,4,5-trichloro-2-(3,5-ditert-butyl-4-hydroxyphenyl)pyrrol-3-yl]ethanone
SYSTEMATIC NAME: 1-[2,4,5-tris(chloranyl)-2-(3,5-ditert-butyl-4-oxidanyl-phenyl)pyrrol-3-yl]ethanone
MOLECULAR FORMULA: C20H24Cl3NO2
MOLECULAR WEIGHT: 416.76906
SMILES: CC(=O)C1=C(C(=NC1(C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)Cl)Cl)Cl
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Product OPENEYE NAME: 3-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propyl]-4-thioxo-pyrrole-2-carbonitrile
CAS Name: 3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propyl]-4-sulfanylidene-2-pyrrolecarbonitrile
IUPAC NAME: 3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propyl]-4-sulfanylidenepyrrole-2-carbonitrile
SYSTEMATIC NAME: 3-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propyl]-4-sulfanylidene-pyrrole-2-carbonitrile
MOLECULAR FORMULA: C22H28N2OS
MOLECULAR WEIGHT: 368.53552
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCC2=C(N=CC2=S)C#N
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Product OPENEYE NAME: 3-tert-butyl-5-hydroxy-benzoic acid
CAS Name: 3-tert-butyl-5-hydroxybenzoic acid
IUPAC NAME: 3-tert-butyl-5-hydroxybenzoic acid
SYSTEMATIC NAME: 3-tert-butyl-5-oxidanyl-benzoic acid
MOLECULAR FORMULA: C11H14O3
MOLECULAR WEIGHT: 194.22706
SMILES: CC(C)(C)C1=CC(=CC(=C1)C(=O)O)O
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Product OPENEYE NAME: 1-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)-5-ethylsulfanyl-1-methyl-pyrrol-3-yl]propan-1-one
CAS Name: 1-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-5-(ethylthio)-1-methyl-3-pyrrolyl]-1-propanone
IUPAC NAME: 1-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-5-ethylsulfanyl-1-methylpyrrol-3-yl]propan-1-one
SYSTEMATIC NAME: 1-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-5-ethylsulfanyl-1-methyl-pyrrol-3-yl]propan-1-one
MOLECULAR FORMULA: C24H35NO2S
MOLECULAR WEIGHT: 401.6052
SMILES: CCC(=O)C1=CN(C(=C1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)SCC)C
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Product OPENEYE NAME: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-pyrrol-1-yl-propan-1-one
CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(1-pyrrolyl)-1-propanone
IUPAC NAME: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-pyrrol-1-ylpropan-1-one
SYSTEMATIC NAME: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-pyrrol-1-yl-propan-1-one
MOLECULAR FORMULA: C21H29NO2
MOLECULAR WEIGHT: 327.46046
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)N2C=CC=C2
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Product OPENEYE NAME: 1-[4,5-dibromo-5-(3,5-ditert-butyl-4-hydroxy-phenyl)pyrrol-3-yl]ethanone
CAS Name: 1-[4,5-dibromo-5-(3,5-ditert-butyl-4-hydroxyphenyl)-3-pyrrolyl]ethanone
IUPAC NAME: 1-[4,5-dibromo-5-(3,5-ditert-butyl-4-hydroxyphenyl)pyrrol-3-yl]ethanone
SYSTEMATIC NAME: 1-[4,5-bis(bromanyl)-5-(3,5-ditert-butyl-4-oxidanyl-phenyl)pyrrol-3-yl]ethanone
MOLECULAR FORMULA: C20H25Br2NO2
MOLECULAR WEIGHT: 471.226
SMILES: CC(=O)C1=C(C(N=C1)(C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)Br)Br
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Product OPENEYE NAME: 2-[2,3,5-trichloro-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-ethyl-pyrrol-1-ium-1-yl]acetaldehyde
CAS Name: 2-[2,3,5-trichloro-4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-ethyl-1-pyrrol-1-iumyl]acetaldehyde
IUPAC NAME: 2-[2,3,5-trichloro-4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-ethylpyrrol-1-ium-1-yl]acetaldehyde
SYSTEMATIC NAME: 2-[2,3,5-tris(chloranyl)-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-ethyl-pyrrol-1-ium-1-yl]ethanal
MOLECULAR FORMULA: C22H29Cl3NO2+
MOLECULAR WEIGHT: 445.83016
SMILES: CC[N+]1(C(=C(C(=C1Cl)Cl)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)Cl)CC=O
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Product OPENEYE NAME: 2-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-methyl-2-methylsulfanyl-pyrrol-1-ium-1-yl]acetaldehyde
CAS Name: 2-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-methyl-2-(methylthio)-1-pyrrol-1-iumyl]acetaldehyde
IUPAC NAME: 2-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-methyl-2-methylsulfanylpyrrol-1-ium-1-yl]acetaldehyde
SYSTEMATIC NAME: 2-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-methyl-2-methylsulfanyl-pyrrol-1-ium-1-yl]ethanal
MOLECULAR FORMULA: C22H32NO2S+
MOLECULAR WEIGHT: 374.55998
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=C[N+](C(=C2)SC)(C)CC=O
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Product OPENEYE NAME: 1-[1-(benzenesulfonyl)-2-(3,5-ditert-butyl-4-hydroxy-phenyl)pyrrol-3-yl]ethanone
CAS Name: 1-[1-(benzenesulfonyl)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-pyrrolyl]ethanone
IUPAC NAME: 1-[1-(benzenesulfonyl)-2-(3,5-ditert-butyl-4-hydroxyphenyl)pyrrol-3-yl]ethanone
SYSTEMATIC NAME: 1-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-(phenylsulfonyl)pyrrol-3-yl]ethanone
MOLECULAR FORMULA: C26H31NO4S
MOLECULAR WEIGHT: 453.59364
SMILES: CC(=O)C1=C(N(C=C1)S(=O)(=O)C2=CC=CC=C2)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C
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