[(1S,2S,3R)-2,3-bis(methoxymethoxy)-4-oxidanyl-6-oxidanylidene-cyclohexyl] benzoate

Systemtic Name: [(1S,2S,3R)-2,3-bis(methoxymethoxy)-4-oxidanyl-6-oxidanylidene-cyclohexyl] benzoate Openeye Name: [(1S,2S,3R)-4-hydroxy-2,3-bis(methoxymethoxy)-6-oxo-cyclohexyl] benzoate CAS Name: benzoic acid [(1S,2S,3R)-4-hydroxy-2,3-bis(methoxymethoxy)-6-oxocyclohexyl] ester IUPAC Name: [(1S,2S,3R)-4-hydroxy-2,3-bis(methoxymethoxy)-6-oxocyclohexyl] benzoate Traditional Name: benzoic acid [(1S,2S,3R)-4-hydroxy-6-keto-2,3-bis(methoxymethoxy)cyclohexyl] ester Formula: C17H22O8 MolecularWeight: 354.35178

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Descriptors Computed from Structure

Canonical SMILES:

COCOC1C(CC(=O)C(C1OCOC)OC(=O)C2=CC=CC=C2)O

Isomeric SMILES

COCO[C@H]1[C@@H](C(CC(=O)[C@H]1OC(=O)C2=CC=CC=C2)O)OCOC

InChI

InChI=1S/C17H22O8/c1-21-9-23-14-12(18)8-13(19)15(16(14)24-10-22-2)25-17(20)11-6-4-3-5-7-11/h3-7,12,14-16,18H,8-10H2,1-2H3/t12?,14-,15-,16+/m1/s1