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

Systemtic Name: [(1S,5R,6S)-3-methoxycarbonyl-5,6-bis(oxidanyl)cyclohex-2-en-1-yl] benzoate Openeye Name: [(1S,5R,6S)-5,6-dihydroxy-3-methoxycarbonyl-cyclohex-2-en-1-yl] benzoate CAS Name: benzoic acid [(1S,5R,6S)-5,6-dihydroxy-3-methoxycarbonyl-1-cyclohex-2-enyl] ester IUPAC Name: [(1S,5R,6S)-5,6-dihydroxy-3-methoxycarbonylcyclohex-2-en-1-yl] benzoate Traditional Name: benzoic acid [(1S,5R,6S)-3-carbomethoxy-5,6-dihydroxy-cyclohex-2-en-1-yl] ester Formula: C15H16O6 MolecularWeight: 292.28394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16O6/c1-20-14(18)10-7-11(16)13(17)12(8-10)21-15(19)9-5-3-2-4-6-9/h2-6,8,11-13,16-17H,7H2,1H3/t11-,12+,13+/m1/s1