1-[4,5-bis(chloranyl)-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)pyrrol-3-yl]propan-1-one

Systemtic Name: 1-[4,5-bis(chloranyl)-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)pyrrol-3-yl]propan-1-one 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 Traditional Name: 1-[4,5-dichloro-4-(3,5-ditert-butyl-4-hydroxy-phenyl)pyrrol-3-yl]propan-1-one Formula: C21H27Cl2NO2 MolecularWeight: 396.35058

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CN=C(C1(C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)Cl)Cl

Isomeric SMILES

CCC(=O)C1=CN=C(C1(C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)Cl)Cl

InChI

InChI=1S/C21H27Cl2NO2/c1-8-16(25)15-11-24-18(22)21(15,23)12-9-13(19(2,3)4)17(26)14(10-12)20(5,6)7/h9-11,26H,8H2,1-7H3