2-(4-methylphenyl)ethyl-triphenyl-phosphanium bromide

Systemtic Name: 2-(4-methylphenyl)ethyl-triphenyl-phosphanium bromide Openeye Name: triphenyl-[2-(p-tolyl)ethyl]phosphonium bromide CAS Name: 2-(4-methylphenyl)ethyl-triphenylphosphonium bromide IUPAC Name: 2-(4-methylphenyl)ethyl-triphenylphosphanium bromide Traditional Name: triphenyl-[2-(p-tolyl)ethyl]phosphonium bromide Formula: C27H26BrP MolecularWeight: 461.373101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26P.BrH/c1-23-17-19-24(20-18-23)21-22-28(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27;/h2-20H,21-22H2,1H3;1H/q+1;/p-1