2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl-triphenyl-phosphanium bromide

Systemtic Name: 2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl-triphenyl-phosphanium bromide Openeye Name: 2-(5-nitro-1,3-dioxo-isoindolin-2-yl)ethyl-triphenyl-phosphonium bromide CAS Name: 2-(5-nitro-1,3-dioxo-2-isoindolyl)ethyl-triphenylphosphonium bromide IUPAC Name: 2-(5-nitro-1,3-dioxoisoindol-2-yl)ethyl-triphenylphosphanium bromide Traditional Name: 2-(1,3-diketo-5-nitro-isoindolin-2-yl)ethyl-triphenyl-phosphonium bromide Formula: C28H22BrN2O4P MolecularWeight: 561.363041

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C28H22N2O4P.BrH/c31-27-25-17-16-21(30(33)34)20-26(25)28(32)29(27)18-19-35(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24;/h1-17,20H,18-19H2;1H/q+1;/p-1