[(1S,4R,5S,6R)-4-methoxy-5-oxidanyl-6-(phenylcarbonyloxy)cyclohex-2-en-1-yl] benzoate

Systemtic Name: [(1S,4R,5S,6R)-4-methoxy-5-oxidanyl-6-(phenylcarbonyloxy)cyclohex-2-en-1-yl] benzoate Openeye Name: [(1S,4R,5S,6R)-6-benzoyloxy-5-hydroxy-4-methoxy-cyclohex-2-en-1-yl] benzoate CAS Name: benzoic acid [(1S,4R,5S,6R)-6-benzoyloxy-5-hydroxy-4-methoxy-1-cyclohex-2-enyl] ester IUPAC Name: [(1S,4R,5S,6R)-6-benzoyloxy-5-hydroxy-4-methoxycyclohex-2-en-1-yl] benzoate Traditional Name: benzoic acid [(1S,4R,5S,6R)-6-benzoyloxy-5-hydroxy-4-methoxy-cyclohex-2-en-1-yl] ester Formula: C21H20O6 MolecularWeight: 368.3799

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Descriptors Computed from Structure

Canonical SMILES:

COC1C=CC(C(C1O)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CO[C@@H]1C=C[C@@H]([C@@H]([C@H]1O)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20O6/c1-25-16-12-13-17(26-20(23)14-8-4-2-5-9-14)19(18(16)22)27-21(24)15-10-6-3-7-11-15/h2-13,16-19,22H,1H3/t16-,17+,18+,19+/m1/s1