(2-chlorophenyl)-[(4-cyanophenyl)methyl]-diphenyl-phosphanium bromide

Systemtic Name: (2-chlorophenyl)-[(4-cyanophenyl)methyl]-diphenyl-phosphanium bromide Openeye Name: (2-chlorophenyl)-[(4-cyanophenyl)methyl]-diphenyl-phosphonium bromide CAS Name: (2-chlorophenyl)-[(4-cyanophenyl)methyl]-diphenylphosphonium bromide IUPAC Name: (2-chlorophenyl)-[(4-cyanophenyl)methyl]-diphenylphosphanium bromide Traditional Name: (2-chlorophenyl)-(4-cyanobenzyl)-diphenyl-phosphonium bromide Formula: C26H20BrClNP MolecularWeight: 492.774461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)C#N)(C3=CC=CC=C3)C4=CC=CC=C4Cl.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)C#N)(C3=CC=CC=C3)C4=CC=CC=C4Cl.[Br-]

InChI

InChI=1S/C26H20ClNP.BrH/c27-25-13-7-8-14-26(25)29(23-9-3-1-4-10-23,24-11-5-2-6-12-24)20-22-17-15-21(19-28)16-18-22;/h1-18H,20H2;1H/q+1;/p-1