3-(2-methylphenyl)propyl-triphenyl-phosphanium bromide

Systemtic Name: 3-(2-methylphenyl)propyl-triphenyl-phosphanium bromide Openeye Name: 3-(o-tolyl)propyl-triphenyl-phosphonium bromide CAS Name: 3-(2-methylphenyl)propyl-triphenylphosphonium bromide IUPAC Name: 3-(2-methylphenyl)propyl-triphenylphosphanium bromide Traditional Name: 3-(o-tolyl)propyl-triphenyl-phosphonium bromide Formula: C28H28BrP MolecularWeight: 475.399681

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CC1=CC=CC=C1CCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C28H28P.BrH/c1-24-14-11-12-15-25(24)16-13-23-29(26-17-5-2-6-18-26,27-19-7-3-8-20-27)28-21-9-4-10-22-28;/h2-12,14-15,17-22H,13,16,23H2,1H3;1H/q+1;/p-1