[4-(4-methylphenyl)carbonyloxy-2-phenyl-1H-imidazol-5-yl]-triphenyl-phosphanium iodide

Systemtic Name: [4-(4-methylphenyl)carbonyloxy-2-phenyl-1H-imidazol-5-yl]-triphenyl-phosphanium iodide Openeye Name: [4-(4-methylbenzoyl)oxy-2-phenyl-1H-imidazol-5-yl]-triphenyl-phosphonium iodide CAS Name: [4-[(4-methylphenyl)-oxomethoxy]-2-phenyl-1H-imidazol-5-yl]-triphenylphosphonium iodide IUPAC Name: [4-(4-methylbenzoyl)oxy-2-phenyl-1H-imidazol-5-yl]-triphenylphosphanium iodide Traditional Name: triphenyl-(2-phenyl-4-p-toluoyloxy-1H-imidazol-5-yl)phosphonium iodide Formula: C35H28IN2O2P MolecularWeight: 666.487251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(NC(=N2)C3=CC=CC=C3)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(NC(=N2)C3=CC=CC=C3)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[I-]

InChI

InChI=1S/C35H28N2O2P.HI/c1-26-22-24-28(25-23-26)35(38)39-33-34(37-32(36-33)27-14-6-2-7-15-27)40(29-16-8-3-9-17-29,30-18-10-4-11-19-30)31-20-12-5-13-21-31;/h2-25H,1H3,(H,36,37);1H/q+1;/p-1