(3-methoxy-4-oxidanyl-4-oxidanylidene-3-phenyl-butyl)-triphenyl-phosphanium iodide

Systemtic Name: (3-methoxy-4-oxidanyl-4-oxidanylidene-3-phenyl-butyl)-triphenyl-phosphanium iodide Openeye Name: (4-hydroxy-3-methoxy-4-oxo-3-phenyl-butyl)-triphenyl-phosphonium iodide CAS Name: (4-hydroxy-3-methoxy-4-oxo-3-phenylbutyl)-triphenylphosphonium iodide IUPAC Name: (4-hydroxy-3-methoxy-4-oxo-3-phenylbutyl)-triphenylphosphanium iodide Traditional Name: (4-hydroxy-4-keto-3-methoxy-3-phenyl-butyl)-triphenyl-phosphonium iodide Formula: C29H28IO3P MolecularWeight: 582.409051

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)(C4=CC=CC=C4)C(=O)O.[I-]

Isomeric SMILES

COC(CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)(C4=CC=CC=C4)C(=O)O.[I-]

InChI

InChI=1S/C29H27O3P.HI/c1-32-29(28(30)31,24-14-6-2-7-15-24)22-23-33(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27;/h2-21H,22-23H2,1H3;1H