[(3S,5R)-8-ethanoyl-2,5-dimethyl-9-oxidanylidene-decan-3-yl] 2-diphenylphosphanylbenzoate

Systemtic Name: [(3S,5R)-8-ethanoyl-2,5-dimethyl-9-oxidanylidene-decan-3-yl] 2-diphenylphosphanylbenzoate Openeye Name: [(1S,3R)-6-acetyl-1-isopropyl-3-methyl-7-oxo-octyl] 2-diphenylphosphanylbenzoate CAS Name: 2-diphenylphosphinobenzoic acid [(3S,5R)-8-acetyl-2,5-dimethyl-9-oxodecan-3-yl] ester IUPAC Name: [(3S,5R)-8-acetyl-2,5-dimethyl-9-oxodecan-3-yl] 2-diphenylphosphanylbenzoate Traditional Name: 2-diphenylphosphinobenzoic acid [(1S,3R)-6-acetyl-1-isopropyl-7-keto-3-methyl-octyl] ester Formula: C33H39O4P MolecularWeight: 530.634121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H39O4P/c1-23(2)31(22-24(3)20-21-29(25(4)34)26(5)35)37-33(36)30-18-12-13-19-32(30)38(27-14-8-6-9-15-27)28-16-10-7-11-17-28/h6-19,23-24,29,31H,20-22H2,1-5H3/t24-,31+/m1/s1