(3,4-dimethoxyphenyl)carbonyl-triphenyl-phosphanium bromide

Systemtic Name: (3,4-dimethoxyphenyl)carbonyl-triphenyl-phosphanium bromide Openeye Name: (3,4-dimethoxybenzoyl)-triphenyl-phosphonium bromide CAS Name: [(3,4-dimethoxyphenyl)-oxomethyl]-triphenylphosphonium bromide IUPAC Name: (3,4-dimethoxybenzoyl)-triphenylphosphanium bromide Traditional Name: triphenyl(veratroyl)phosphonium bromide Formula: C27H24BrO3P MolecularWeight: 507.355421

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OC.[Br-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OC.[Br-]

InChI

InChI=1S/C27H24O3P.BrH/c1-29-25-19-18-21(20-26(25)30-2)27(28)31(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24;/h3-20H,1-2H3;1H/q+1;/p-1