(4-methoxy-3-nitro-phenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (4-methoxy-3-nitro-phenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (4-methoxy-3-nitro-phenyl)methyl-triphenyl-phosphonium bromide CAS Name: (4-methoxy-3-nitrophenyl)methyl-triphenylphosphonium bromide IUPAC Name: (4-methoxy-3-nitrophenyl)methyl-triphenylphosphanium bromide Traditional Name: (4-methoxy-3-nitro-benzyl)-triphenyl-phosphonium bromide Formula: C26H23BrNO3P MolecularWeight: 508.343481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-].[Br-]

Isomeric SMILES

COC1=C(C=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C26H23NO3P.BrH/c1-30-26-18-17-21(19-25(26)27(28)29)20-31(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24;/h2-19H,20H2,1H3;1H/q+1;/p-1