[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]-triphenyl-phosphanium bromide

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl]-triphenyl-phosphanium bromide Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl]-triphenyl-phosphonium bromide CAS Name: [2-(4-nitrophenyl)-2-oxoethyl]-triphenylphosphonium bromide IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl]-triphenylphosphanium bromide Traditional Name: [2-keto-2-(4-nitrophenyl)ethyl]-triphenyl-phosphonium bromide Formula: C26H21BrNO3P MolecularWeight: 506.327601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21NO3P.BrH/c28-26(21-16-18-22(19-17-21)27(29)30)20-31(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-19H,20H2;1H/q+1;/p-1