[4-(4-methylphenyl)sulfonylphenyl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [4-(4-methylphenyl)sulfonylphenyl]methyl-triphenyl-phosphanium bromide Openeye Name: triphenyl-[[4-(p-tolylsulfonyl)phenyl]methyl]phosphonium bromide CAS Name: [4-(4-methylphenyl)sulfonylphenyl]methyl-triphenylphosphonium bromide IUPAC Name: [4-(4-methylphenyl)sulfonylphenyl]methyl-triphenylphosphanium bromide Traditional Name: triphenyl-(4-tosylbenzyl)phosphonium bromide Formula: C32H28BrO2PS MolecularWeight: 587.506281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C32H28O2PS.BrH/c1-26-17-21-31(22-18-26)36(33,34)32-23-19-27(20-24-32)25-35(28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30;/h2-24H,25H2,1H3;1H/q+1;/p-1