(5-methoxy-3-methyl-5-oxidanylidene-pentyl)-triphenyl-phosphanium iodide

Systemtic Name: (5-methoxy-3-methyl-5-oxidanylidene-pentyl)-triphenyl-phosphanium iodide Openeye Name: (5-methoxy-3-methyl-5-oxo-pentyl)-triphenyl-phosphonium iodide CAS Name: (5-methoxy-3-methyl-5-oxopentyl)-triphenylphosphonium iodide IUPAC Name: (5-methoxy-3-methyl-5-oxopentyl)-triphenylphosphanium iodide Traditional Name: (5-keto-5-methoxy-3-methyl-pentyl)-triphenyl-phosphonium iodide Formula: C25H28IO2P MolecularWeight: 518.366851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)OC.[I-]

Isomeric SMILES

CC(CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)OC.[I-]

InChI

InChI=1S/C25H28O2P.HI/c1-21(20-25(26)27-2)18-19-28(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24;/h3-17,21H,18-20H2,1-2H3;1H/q+1;/p-1