[2-[(5-chloranyl-2-nitro-phenyl)carbonylamino]phenyl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [2-[(5-chloranyl-2-nitro-phenyl)carbonylamino]phenyl]methyl-triphenyl-phosphanium bromide Openeye Name: [2-[(5-chloro-2-nitro-benzoyl)amino]phenyl]methyl-triphenyl-phosphonium bromide CAS Name: [2-[[(5-chloro-2-nitrophenyl)-oxomethyl]amino]phenyl]methyl-triphenylphosphonium bromide IUPAC Name: [2-[(5-chloro-2-nitrobenzoyl)amino]phenyl]methyl-triphenylphosphanium bromide Traditional Name: [2-[(5-chloro-2-nitro-benzoyl)amino]benzyl]-triphenyl-phosphonium bromide Formula: C32H25BrClN2O3P MolecularWeight: 631.883261

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CC2=CC=CC=C2NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CC2=CC=CC=C2NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C32H24ClN2O3P.BrH/c33-25-20-21-31(35(37)38)29(22-25)32(36)34-30-19-11-10-12-24(30)23-39(26-13-4-1-5-14-26,27-15-6-2-7-16-27)28-17-8-3-9-18-28;/h1-22H,23H2;1H