[(3R,4R,6S)-6-(2-ethoxy-2-oxidanylidene-ethyl)-2,4-dimethyl-decan-3-yl] 2-diphenylphosphanylbenzoate

Systemtic Name: [(3R,4R,6S)-6-(2-ethoxy-2-oxidanylidene-ethyl)-2,4-dimethyl-decan-3-yl] 2-diphenylphosphanylbenzoate Openeye Name: [(1R,2R,4S)-4-(2-ethoxy-2-oxo-ethyl)-1-isopropyl-2-methyl-octyl] 2-diphenylphosphanylbenzoate CAS Name: 2-diphenylphosphinobenzoic acid [(3R,4R,6S)-6-(2-ethoxy-2-oxoethyl)-2,4-dimethyldecan-3-yl] ester IUPAC Name: [(3R,4R,6S)-6-(2-ethoxy-2-oxoethyl)-2,4-dimethyldecan-3-yl] 2-diphenylphosphanylbenzoate Traditional Name: 2-diphenylphosphinobenzoic acid [(1R,2R,4S)-4-(2-ethoxy-2-keto-ethyl)-1-isopropyl-2-methyl-octyl] ester Formula: C35H45O4P MolecularWeight: 560.703161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H45O4P/c1-6-8-17-28(25-33(36)38-7-2)24-27(5)34(26(3)4)39-35(37)31-22-15-16-23-32(31)40(29-18-11-9-12-19-29)30-20-13-10-14-21-30/h9-16,18-23,26-28,34H,6-8,17,24-25H2,1-5H3/t27-,28+,34-/m1/s1