[3-(dimethylamino)phenyl]-[(2-nitrophenyl)methyl]-diphenyl-phosphanium bromide

Systemtic Name: [3-(dimethylamino)phenyl]-[(2-nitrophenyl)methyl]-diphenyl-phosphanium bromide Openeye Name: [3-(dimethylamino)phenyl]-[(2-nitrophenyl)methyl]-diphenyl-phosphonium bromide CAS Name: [3-(dimethylamino)phenyl]-[(2-nitrophenyl)methyl]-diphenylphosphonium bromide IUPAC Name: [3-(dimethylamino)phenyl]-[(2-nitrophenyl)methyl]-diphenylphosphanium bromide Traditional Name: [3-(dimethylamino)phenyl]-(2-nitrobenzyl)-diphenyl-phosphonium bromide Formula: C27H26BrN2O2P MolecularWeight: 521.385301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O2P.BrH/c1-28(2)23-13-11-18-26(20-23)32(24-14-5-3-6-15-24,25-16-7-4-8-17-25)21-22-12-9-10-19-27(22)29(30)31;/h3-20H,21H2,1-2H3;1H/q+1;/p-1