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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)C2=CNC(=C2Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)C2=CNC(=C2Cl)Cl

InChI

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