4-[[4,5-bis(bromanyl)-1-(phenylmethyl)pyrrol-3-yl]methyl]-2,6-ditert-butyl-phenol

Systemtic Name: 4-[[4,5-bis(bromanyl)-1-(phenylmethyl)pyrrol-3-yl]methyl]-2,6-ditert-butyl-phenol Openeye Name: 4-[(1-benzyl-4,5-dibromo-pyrrol-3-yl)methyl]-2,6-ditert-butyl-phenol CAS Name: 2,6-ditert-butyl-4-[[4,5-dibromo-1-(phenylmethyl)-3-pyrrolyl]methyl]phenol IUPAC Name: 4-[(1-benzyl-4,5-dibromopyrrol-3-yl)methyl]-2,6-ditert-butylphenol Traditional Name: 4-[(1-benzyl-4,5-dibromo-pyrrol-3-yl)methyl]-2,6-ditert-butyl-phenol Formula: C26H31Br2NO MolecularWeight: 533.33844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2=CN(C(=C2Br)Br)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2=CN(C(=C2Br)Br)CC3=CC=CC=C3

InChI

InChI=1S/C26H31Br2NO/c1-25(2,3)20-13-18(14-21(23(20)30)26(4,5)6)12-19-16-29(24(28)22(19)27)15-17-10-8-7-9-11-17/h7-11,13-14,16,30H,12,15H2,1-6H3