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

Systemtic Name: [(2R,4R)-2-oxidanyl-5-oxidanylidene-2-(2-oxidanylideneethyl)-4-(phenylcarbonyloxy)pentyl] benzoate Openeye Name: [(2R,4R)-4-benzoyloxy-2-hydroxy-5-oxo-2-(2-oxoethyl)pentyl] benzoate CAS Name: benzoic acid [(2R,4R)-4-benzoyloxy-2-hydroxy-5-oxo-2-(2-oxoethyl)pentyl] ester IUPAC Name: [(2R,4R)-4-benzoyloxy-2-hydroxy-5-oxo-2-(2-oxoethyl)pentyl] benzoate Traditional Name: benzoic acid [(2R,4R)-4-benzoyloxy-2-hydroxy-5-keto-2-(2-ketoethyl)pentyl] ester Formula: C21H20O7 MolecularWeight: 384.3793

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20O7/c22-12-11-21(26,15-27-19(24)16-7-3-1-4-8-16)13-18(14-23)28-20(25)17-9-5-2-6-10-17/h1-10,12,14,18,26H,11,13,15H2/t18-,21+/m1/s1