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

Systemtic Name: [(1S,5R,6R)-6-acetyloxy-5-(acetyloxymethyl)-2-oxidanylidene-cyclohex-3-en-1-yl] benzoate Openeye Name: [(1S,5R,6R)-6-acetoxy-5-(acetoxymethyl)-2-oxo-cyclohex-3-en-1-yl] benzoate CAS Name: benzoic acid [(1S,5R,6R)-6-acetyloxy-5-(acetyloxymethyl)-2-oxo-1-cyclohex-3-enyl] ester IUPAC Name: [(1S,5R,6R)-6-acetyloxy-5-(acetyloxymethyl)-2-oxocyclohex-3-en-1-yl] benzoate Traditional Name: benzoic acid [(1S,5R,6R)-6-acetoxy-5-(acetoxymethyl)-2-keto-cyclohex-3-en-1-yl] ester Formula: C18H18O7 MolecularWeight: 346.33132

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C=CC(=O)C(C1OC(=O)C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H18O7/c1-11(19)23-10-14-8-9-15(21)17(16(14)24-12(2)20)25-18(22)13-6-4-3-5-7-13/h3-9,14,16-17H,10H2,1-2H3/t14-,16-,17-/m1/s1