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

Systemtic Name: [(1R,5R,6R)-3-ethoxycarbonyl-5,6-bis(oxidanyl)cyclohex-3-en-1-yl] benzoate Openeye Name: [(1R,5R,6R)-3-ethoxycarbonyl-5,6-dihydroxy-cyclohex-3-en-1-yl] benzoate CAS Name: benzoic acid [(1R,5R,6R)-3-ethoxycarbonyl-5,6-dihydroxy-1-cyclohex-3-enyl] ester IUPAC Name: [(1R,5R,6R)-3-ethoxycarbonyl-5,6-dihydroxycyclohex-3-en-1-yl] benzoate Traditional Name: benzoic acid [(1R,5R,6R)-3-carbethoxy-5,6-dihydroxy-cyclohex-3-en-1-yl] ester Formula: C16H18O6 MolecularWeight: 306.31052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18O6/c1-2-21-15(19)11-8-12(17)14(18)13(9-11)22-16(20)10-6-4-3-5-7-10/h3-8,12-14,17-18H,2,9H2,1H3/t12-,13-,14-/m1/s1