[(2R,3R,4R)-4-acetyloxy-2-oxidanyl-5-oxidanylidene-3-(phenylcarbonyloxy)pentyl] benzoate

Systemtic Name: [(2R,3R,4R)-4-acetyloxy-2-oxidanyl-5-oxidanylidene-3-(phenylcarbonyloxy)pentyl] benzoate Openeye Name: [(2R,3R,4R)-4-acetoxy-3-benzoyloxy-2-hydroxy-5-oxo-pentyl] benzoate CAS Name: benzoic acid [(2R,3R,4R)-4-acetyloxy-3-benzoyloxy-2-hydroxy-5-oxopentyl] ester IUPAC Name: [(2R,3R,4R)-4-acetyloxy-3-benzoyloxy-2-hydroxy-5-oxopentyl] benzoate Traditional Name: benzoic acid [(2R,3R,4R)-4-acetoxy-3-benzoyloxy-2-hydroxy-5-keto-pentyl] ester Formula: C21H20O8 MolecularWeight: 400.3787

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C=O)C(C(COC(=O)C1=CC=CC=C1)O)OC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H20O8/c1-14(23)28-18(12-22)19(29-21(26)16-10-6-3-7-11-16)17(24)13-27-20(25)15-8-4-2-5-9-15/h2-12,17-19,24H,13H2,1H3/t17-,18+,19-/m1/s1