8,12-dimethyltridecyl-(4-methylphenyl)-diphenyl-phosphanium bromide

Systemtic Name: 8,12-dimethyltridecyl-(4-methylphenyl)-diphenyl-phosphanium bromide Openeye Name: 8,12-dimethyltridecyl-diphenyl-(p-tolyl)phosphonium bromide CAS Name: 8,12-dimethyltridecyl-(4-methylphenyl)-diphenylphosphonium bromide IUPAC Name: 8,12-dimethyltridecyl-(4-methylphenyl)-diphenylphosphanium bromide Traditional Name: 8,12-dimethyltridecyl-diphenyl-(p-tolyl)phosphonium bromide Formula: C34H48BrP MolecularWeight: 567.622681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H48P.BrH/c1-29(2)17-16-19-30(3)18-10-6-5-7-15-28-35(32-20-11-8-12-21-32,33-22-13-9-14-23-33)34-26-24-31(4)25-27-34;/h8-9,11-14,20-27,29-30H,5-7,10,15-19,28H2,1-4H3;1H/q+1;/p-1