3-(4-methoxycarbonylphenyl)propyl-triphenyl-phosphanium iodide

Systemtic Name: 3-(4-methoxycarbonylphenyl)propyl-triphenyl-phosphanium iodide Openeye Name: 3-(4-methoxycarbonylphenyl)propyl-triphenyl-phosphonium iodide CAS Name: 3-(4-methoxycarbonylphenyl)propyl-triphenylphosphonium iodide IUPAC Name: 3-(4-methoxycarbonylphenyl)propyl-triphenylphosphanium iodide Traditional Name: 3-(4-carbomethoxyphenyl)propyl-triphenyl-phosphonium iodide Formula: C29H28IO2P MolecularWeight: 566.409651

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28O2P.HI/c1-31-29(30)25-21-19-24(20-22-25)12-11-23-32(26-13-5-2-6-14-26,27-15-7-3-8-16-27)28-17-9-4-10-18-28;/h2-10,13-22H,11-12,23H2,1H3;1H/q+1;/p-1