(1-methyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-triphenyl-phosphanium iodide

Systemtic Name: (1-methyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-triphenyl-phosphanium iodide Openeye Name: (1-methyl-3-oxo-2-phenyl-pyrazol-4-yl)-triphenyl-phosphonium iodide CAS Name: (1-methyl-3-oxo-2-phenyl-4-pyrazolyl)-triphenylphosphonium iodide IUPAC Name: (1-methyl-3-oxo-2-phenylpyrazol-4-yl)-triphenylphosphanium iodide Traditional Name: (3-keto-1-methyl-2-phenyl-3-pyrazolin-4-yl)-triphenyl-phosphonium iodide Formula: C28H24IN2OP MolecularWeight: 562.381191

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N1C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[I-]

Isomeric SMILES

CN1C=C(C(=O)N1C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[I-]

InChI

InChI=1S/C28H24N2OP.HI/c1-29-22-27(28(31)30(29)23-14-6-2-7-15-23)32(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26;/h2-22H,1H3;1H/q+1;/p-1