[(2R,3S)-7-methoxy-1,2-bis(oxidanyl)-7-oxidanylidene-heptan-3-yl] benzoate

Systemtic Name: [(2R,3S)-7-methoxy-1,2-bis(oxidanyl)-7-oxidanylidene-heptan-3-yl] benzoate Openeye Name: [(1S)-1-[(1R)-1,2-dihydroxyethyl]-5-methoxy-5-oxo-pentyl] benzoate CAS Name: benzoic acid [(2R,3S)-1,2-dihydroxy-7-methoxy-7-oxoheptan-3-yl] ester IUPAC Name: [(2R,3S)-1,2-dihydroxy-7-methoxy-7-oxoheptan-3-yl] benzoate Traditional Name: benzoic acid [(1S)-1-[(1R)-1,2-dihydroxyethyl]-5-keto-5-methoxy-pentyl] ester Formula: C15H20O6 MolecularWeight: 296.3157

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(C(CO)O)OC(=O)C1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C15H20O6/c1-20-14(18)9-5-8-13(12(17)10-16)21-15(19)11-6-3-2-4-7-11/h2-4,6-7,12-13,16-17H,5,8-10H2,1H3/t12-,13+/m1/s1