[3-(4-methylphenyl)-2,3-bis(oxidanylidene)propyl]-triphenyl-phosphanium bromide

Systemtic Name: [3-(4-methylphenyl)-2,3-bis(oxidanylidene)propyl]-triphenyl-phosphanium bromide Openeye Name: [2,3-dioxo-3-(p-tolyl)propyl]-triphenyl-phosphonium bromide CAS Name: [3-(4-methylphenyl)-2,3-dioxopropyl]-triphenylphosphonium bromide IUPAC Name: [3-(4-methylphenyl)-2,3-dioxopropyl]-triphenylphosphanium bromide Traditional Name: [2,3-diketo-3-(p-tolyl)propyl]-triphenyl-phosphonium bromide Formula: C28H24BrO2P MolecularWeight: 503.366721

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(=O)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(=O)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C28H24O2P.BrH/c1-22-17-19-23(20-18-22)28(30)27(29)21-31(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26;/h2-20H,21H2,1H3;1H/q+1;/p-1