(4-nitrophenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (4-nitrophenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (4-nitrophenyl)methyl-triphenyl-phosphonium bromide CAS Name: (4-nitrophenyl)methyl-triphenylphosphonium bromide IUPAC Name: (4-nitrophenyl)methyl-triphenylphosphanium bromide Traditional Name: (4-nitrobenzyl)-triphenyl-phosphonium bromide Formula: C25H21BrNO2P MolecularWeight: 478.317501

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H21NO2P.BrH/c27-26(28)22-18-16-21(17-19-22)20-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-19H,20H2;1H/q+1;/p-1