[(2S,3R)-2-methyl-4-oxidanylidene-3,4-diphenyl-3-(phenylcarbonyloxy)butyl]-triphenyl-phosphanium chloride

Systemtic Name: [(2S,3R)-2-methyl-4-oxidanylidene-3,4-diphenyl-3-(phenylcarbonyloxy)butyl]-triphenyl-phosphanium chloride Openeye Name: [(2S,3R)-3-benzoyloxy-2-methyl-4-oxo-3,4-diphenyl-butyl]-triphenyl-phosphonium chloride CAS Name: [(2S,3R)-3-benzoyloxy-2-methyl-4-oxo-3,4-diphenylbutyl]-triphenylphosphonium chloride IUPAC Name: [(2S,3R)-3-benzoyloxy-2-methyl-4-oxo-3,4-diphenylbutyl]-triphenylphosphanium chloride Traditional Name: [(2S,3R)-3-benzoyloxy-4-keto-2-methyl-3,4-diphenyl-butyl]-triphenyl-phosphonium chloride Formula: C42H36ClO3P MolecularWeight: 655.160201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H36O3P.ClH/c1-33(32-46(37-26-14-5-15-27-37,38-28-16-6-17-29-38)39-30-18-7-19-31-39)42(36-24-12-4-13-25-36,40(43)34-20-8-2-9-21-34)45-41(44)35-22-10-3-11-23-35;/h2-31,33H,32H2,1H3;1H/q+1;/p-1/t33-,42-;/m1./s1