(4-nitrophenyl)methyl-diphenyl-(phenylmethyl)phosphanium bromide

Systemtic Name: (4-nitrophenyl)methyl-diphenyl-(phenylmethyl)phosphanium bromide Openeye Name: benzyl-[(4-nitrophenyl)methyl]-diphenyl-phosphonium bromide CAS Name: (4-nitrophenyl)methyl-diphenyl-(phenylmethyl)phosphonium bromide IUPAC Name: benzyl-[(4-nitrophenyl)methyl]-diphenylphosphanium bromide Traditional Name: benzyl-(4-nitrobenzyl)-diphenyl-phosphonium bromide Formula: C26H23BrNO2P MolecularWeight: 492.344081

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23NO2P.BrH/c28-27(29)24-18-16-23(17-19-24)21-30(25-12-6-2-7-13-25,26-14-8-3-9-15-26)20-22-10-4-1-5-11-22;/h1-19H,20-21H2;1H/q+1;/p-1