(2-methyl-3-oxidanyl-4-oxidanylidene-3,4-diphenyl-butyl)-triphenyl-phosphanium bromide

Systemtic Name: (2-methyl-3-oxidanyl-4-oxidanylidene-3,4-diphenyl-butyl)-triphenyl-phosphanium bromide Openeye Name: (3-hydroxy-2-methyl-4-oxo-3,4-diphenyl-butyl)-triphenyl-phosphonium bromide CAS Name: (3-hydroxy-2-methyl-4-oxo-3,4-diphenylbutyl)-triphenylphosphonium bromide IUPAC Name: (3-hydroxy-2-methyl-4-oxo-3,4-diphenylbutyl)-triphenylphosphanium bromide Traditional Name: (3-hydroxy-4-keto-2-methyl-3,4-diphenyl-butyl)-triphenyl-phosphonium bromide Formula: C35H32BrO2P MolecularWeight: 595.505141

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(C4=CC=CC=C4)(C(=O)C5=CC=CC=C5)O.[Br-]

Isomeric SMILES

CC(C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(C4=CC=CC=C4)(C(=O)C5=CC=CC=C5)O.[Br-]

InChI

InChI=1S/C35H32O2P.BrH/c1-28(35(37,30-19-9-3-10-20-30)34(36)29-17-7-2-8-18-29)27-38(31-21-11-4-12-22-31,32-23-13-5-14-24-32)33-25-15-6-16-26-33;/h2-26,28,37H,27H2,1H3;1H/q+1;/p-1