[(3S,5S)-2,5-dimethyl-7-oxidanylidene-heptan-3-yl] 2-diphenylphosphanylbenzoate

Systemtic Name: [(3S,5S)-2,5-dimethyl-7-oxidanylidene-heptan-3-yl] 2-diphenylphosphanylbenzoate Openeye Name: [(1S,3S)-1-isopropyl-3-methyl-5-oxo-pentyl] 2-diphenylphosphanylbenzoate CAS Name: 2-diphenylphosphinobenzoic acid [(3S,5S)-2,5-dimethyl-7-oxoheptan-3-yl] ester IUPAC Name: [(3S,5S)-2,5-dimethyl-7-oxoheptan-3-yl] 2-diphenylphosphanylbenzoate Traditional Name: 2-diphenylphosphinobenzoic acid [(1S,3S)-1-isopropyl-5-keto-3-methyl-pentyl] ester Formula: C28H31O3P MolecularWeight: 446.517701

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(C)CC=O)OC(=O)C1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CC=O)C[C@@H](C(C)C)OC(=O)C1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C28H31O3P/c1-21(2)26(20-22(3)18-19-29)31-28(30)25-16-10-11-17-27(25)32(23-12-6-4-7-13-23)24-14-8-5-9-15-24/h4-17,19,21-22,26H,18,20H2,1-3H3/t22-,26+/m1/s1