2-(4-nitrophenyl)-4,4-diphenyl-1,4-benzoxaphosphinin-4-ium bromide

Systemtic Name: 2-(4-nitrophenyl)-4,4-diphenyl-1,4-benzoxaphosphinin-4-ium bromide Openeye Name: 2-(4-nitrophenyl)-4,4-diphenyl-1,4-benzoxaphosphinin-4-ium bromide CAS Name: 2-(4-nitrophenyl)-4,4-diphenyl-1,4-benzoxaphosphorin-4-ium bromide IUPAC Name: 2-(4-nitrophenyl)-4,4-diphenyl-1,4-benzoxaphosphinin-4-ium bromide Traditional Name: 2-(4-nitrophenyl)-4,4-diphenyl-1,4-benzoxaphosphorin-4-ium bromide Formula: C26H19BrNO3P MolecularWeight: 504.311721

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+]2(C=C(OC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[P+]2(C=C(OC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C26H19NO3P.BrH/c28-27(29)21-17-15-20(16-18-21)25-19-31(22-9-3-1-4-10-22,23-11-5-2-6-12-23)26-14-8-7-13-24(26)30-25;/h1-19H;1H/q+1;/p-1