(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-triphenyl-phosphanium iodide

Systemtic Name: (1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-triphenyl-phosphanium iodide Openeye Name: (1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-triphenyl-phosphonium iodide CAS Name: (1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-triphenylphosphonium iodide IUPAC Name: (1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-triphenylphosphanium iodide Traditional Name: (3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-triphenyl-phosphonium iodide Formula: C29H26IN2OP MolecularWeight: 576.407771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[I-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[I-]

InChI

InChI=1S/C29H26N2OP.HI/c1-23-28(29(32)31(30(23)2)24-15-7-3-8-16-24)33(25-17-9-4-10-18-25,26-19-11-5-12-20-26)27-21-13-6-14-22-27;/h3-22H,1-2H3;1H/q+1;/p-1