[3-(dimethylamino)-2-nitro-phenyl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [3-(dimethylamino)-2-nitro-phenyl]methyl-triphenyl-phosphanium bromide Openeye Name: [3-(dimethylamino)-2-nitro-phenyl]methyl-triphenyl-phosphonium bromide CAS Name: [3-(dimethylamino)-2-nitrophenyl]methyl-triphenylphosphonium bromide IUPAC Name: [3-(dimethylamino)-2-nitrophenyl]methyl-triphenylphosphanium bromide Traditional Name: [3-(dimethylamino)-2-nitro-benzyl]-triphenyl-phosphonium bromide Formula: C27H26BrN2O2P MolecularWeight: 521.385301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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