1-[4,5-bis(bromanyl)-1H-pyrrol-3-yl]-2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanone

Systemtic Name: 1-[4,5-bis(bromanyl)-1H-pyrrol-3-yl]-2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanone Openeye Name: 1-(4,5-dibromo-1H-pyrrol-3-yl)-2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone CAS Name: 1-(4,5-dibromo-1H-pyrrol-3-yl)-2-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone IUPAC Name: 1-(4,5-dibromo-1H-pyrrol-3-yl)-2-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone Traditional Name: 1-(4,5-dibromo-1H-pyrrol-3-yl)-2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone Formula: C20H25Br2NO2 MolecularWeight: 471.226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=O)C2=CNC(=C2Br)Br

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=O)C2=CNC(=C2Br)Br

InChI

InChI=1S/C20H25Br2NO2/c1-19(2,3)13-7-11(8-14(17(13)25)20(4,5)6)9-15(24)12-10-23-18(22)16(12)21/h7-8,10,23,25H,9H2,1-6H3