[(2S,3S,4R)-1-ethoxy-4-methanoyl-2-methyl-1-oxidanylidene-hexan-3-yl] 2-diphenylphosphanylbenzoate

Systemtic Name: [(2S,3S,4R)-1-ethoxy-4-methanoyl-2-methyl-1-oxidanylidene-hexan-3-yl] 2-diphenylphosphanylbenzoate Openeye Name: [(1S,2R)-1-[(1S)-2-ethoxy-1-methyl-2-oxo-ethyl]-2-formyl-butyl] 2-diphenylphosphanylbenzoate CAS Name: 2-diphenylphosphinobenzoic acid [(2S,3S,4R)-1-ethoxy-4-formyl-2-methyl-1-oxohexan-3-yl] ester IUPAC Name: [(2S,3S,4R)-1-ethoxy-4-formyl-2-methyl-1-oxohexan-3-yl] 2-diphenylphosphanylbenzoate Traditional Name: 2-diphenylphosphinobenzoic acid [(1S,2R)-1-[(1S)-2-ethoxy-2-keto-1-methyl-ethyl]-2-formyl-butyl] ester Formula: C29H31O5P MolecularWeight: 490.527201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31O5P/c1-4-22(20-30)27(21(3)28(31)33-5-2)34-29(32)25-18-12-13-19-26(25)35(23-14-8-6-9-15-23)24-16-10-7-11-17-24/h6-22,27H,4-5H2,1-3H3/t21-,22-,27+/m0/s1