[4-oxidanylidene-3,4-diphenyl-3-(phenylcarbonyloxy)butyl]-triphenyl-phosphanium chloride

Systemtic Name: [4-oxidanylidene-3,4-diphenyl-3-(phenylcarbonyloxy)butyl]-triphenyl-phosphanium chloride Openeye Name: (3-benzoyloxy-4-oxo-3,4-diphenyl-butyl)-triphenyl-phosphonium chloride CAS Name: (3-benzoyloxy-4-oxo-3,4-diphenylbutyl)-triphenylphosphonium chloride IUPAC Name: (3-benzoyloxy-4-oxo-3,4-diphenylbutyl)-triphenylphosphanium chloride Traditional Name: (3-benzoyloxy-4-keto-3,4-diphenyl-butyl)-triphenyl-phosphonium chloride Formula: C41H34ClO3P MolecularWeight: 641.133621

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)OC(=O)C6=CC=CC=C6.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)OC(=O)C6=CC=CC=C6.[Cl-]

InChI

InChI=1S/C41H34O3P.ClH/c42-39(33-19-7-1-8-20-33)41(35-23-11-3-12-24-35,44-40(43)34-21-9-2-10-22-34)31-32-45(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38;/h1-30H,31-32H2;1H/q+1;/p-1