[(E,2S,3S)-1-ethoxy-2-methyl-1-oxidanylidene-hex-4-en-3-yl] 2-diphenylphosphanylbenzoate

Systemtic Name: [(E,2S,3S)-1-ethoxy-2-methyl-1-oxidanylidene-hex-4-en-3-yl] 2-diphenylphosphanylbenzoate Openeye Name: [(E,1S)-1-[(1S)-2-ethoxy-1-methyl-2-oxo-ethyl]but-2-enyl] 2-diphenylphosphanylbenzoate CAS Name: 2-diphenylphosphinobenzoic acid [(E,2S,3S)-1-ethoxy-2-methyl-1-oxohex-4-en-3-yl] ester IUPAC Name: [(E,2S,3S)-1-ethoxy-2-methyl-1-oxohex-4-en-3-yl] 2-diphenylphosphanylbenzoate Traditional Name: 2-diphenylphosphinobenzoic acid [(E,1S)-1-[(1S)-2-ethoxy-2-keto-1-methyl-ethyl]but-2-enyl] ester Formula: C28H29O4P MolecularWeight: 460.501221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29O4P/c1-4-14-25(21(3)27(29)31-5-2)32-28(30)24-19-12-13-20-26(24)33(22-15-8-6-9-16-22)23-17-10-7-11-18-23/h4,6-21,25H,5H2,1-3H3/b14-4+/t21-,25-/m0/s1