[4-(4-nitrophenoxy)carbonylphenyl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [4-(4-nitrophenoxy)carbonylphenyl]methyl-triphenyl-phosphanium bromide Openeye Name: [4-(4-nitrophenoxy)carbonylphenyl]methyl-triphenyl-phosphonium bromide CAS Name: [4-[(4-nitrophenoxy)-oxomethyl]phenyl]methyl-triphenylphosphonium bromide IUPAC Name: [4-(4-nitrophenoxy)carbonylphenyl]methyl-triphenylphosphanium bromide Traditional Name: [4-(4-nitrophenoxy)carbonylbenzyl]-triphenyl-phosphonium bromide Formula: C32H25BrNO4P MolecularWeight: 598.422961

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C32H25NO4P.BrH/c34-32(37-28-22-20-27(21-23-28)33(35)36)26-18-16-25(17-19-26)24-38(29-10-4-1-5-11-29,30-12-6-2-7-13-30)31-14-8-3-9-15-31;/h1-23H,24H2;1H/q+1;/p-1