(5-nitro-2H-indazol-3-yl)methyl-triphenyl-phosphanium iodide

Systemtic Name: (5-nitro-2H-indazol-3-yl)methyl-triphenyl-phosphanium iodide Openeye Name: (5-nitro-2H-indazol-3-yl)methyl-triphenyl-phosphonium iodide CAS Name: (5-nitro-2H-indazol-3-yl)methyl-triphenylphosphonium iodide IUPAC Name: (5-nitro-2H-indazol-3-yl)methyl-triphenylphosphanium iodide Traditional Name: (5-nitro-2H-indazol-3-yl)methyl-triphenyl-phosphonium iodide Formula: C26H21IN3O2P MolecularWeight: 565.342071

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CC2=C3C=C(C=CC3=NN2)[N+](=O)[O-])(C4=CC=CC=C4)C5=CC=CC=C5.[I-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CC2=C3C=C(C=CC3=NN2)[N+](=O)[O-])(C4=CC=CC=C4)C5=CC=CC=C5.[I-]

InChI

InChI=1S/C26H21N3O2P.HI/c30-29(31)20-16-17-25-24(18-20)26(28-27-25)19-32(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23;/h1-18H,19H2,(H,27,28);1H/q+1;/p-1