[(1S,5R,6S)-5,6-bis(methoxymethoxy)-2-oxidanylidene-cyclohex-3-en-1-yl] benzoate

Systemtic Name: [(1S,5R,6S)-5,6-bis(methoxymethoxy)-2-oxidanylidene-cyclohex-3-en-1-yl] benzoate Openeye Name: [(1S,5R,6S)-5,6-bis(methoxymethoxy)-2-oxo-cyclohex-3-en-1-yl] benzoate CAS Name: benzoic acid [(1S,5R,6S)-5,6-bis(methoxymethoxy)-2-oxo-1-cyclohex-3-enyl] ester IUPAC Name: [(1S,5R,6S)-5,6-bis(methoxymethoxy)-2-oxocyclohex-3-en-1-yl] benzoate Traditional Name: benzoic acid [(1S,5R,6S)-2-keto-5,6-bis(methoxymethoxy)cyclohex-3-en-1-yl] ester Formula: C17H20O7 MolecularWeight: 336.3365

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20O7/c1-20-10-22-14-9-8-13(18)15(16(14)23-11-21-2)24-17(19)12-6-4-3-5-7-12/h3-9,14-16H,10-11H2,1-2H3/t14-,15-,16+/m1/s1