[(1R,2R,3R)-2-methoxy-3-oxidanyl-4-oxidanylidene-3-(prop-2-enoxymethyl)cyclohexyl] benzoate

Systemtic Name: [(1R,2R,3R)-2-methoxy-3-oxidanyl-4-oxidanylidene-3-(prop-2-enoxymethyl)cyclohexyl] benzoate Openeye Name: [(1R,2R,3R)-3-(allyloxymethyl)-3-hydroxy-2-methoxy-4-oxo-cyclohexyl] benzoate CAS Name: benzoic acid [(1R,2R,3R)-3-hydroxy-2-methoxy-4-oxo-3-(prop-2-enoxymethyl)cyclohexyl] ester IUPAC Name: [(1R,2R,3R)-3-hydroxy-2-methoxy-4-oxo-3-(prop-2-enoxymethyl)cyclohexyl] benzoate Traditional Name: benzoic acid [(1R,2R,3R)-3-(allyloxymethyl)-3-hydroxy-4-keto-2-methoxy-cyclohexyl] ester Formula: C18H22O6 MolecularWeight: 334.36368

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(CCC(=O)C1(COCC=C)O)OC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H22O6/c1-3-11-23-12-18(21)15(19)10-9-14(16(18)22-2)24-17(20)13-7-5-4-6-8-13/h3-8,14,16,21H,1,9-12H2,2H3/t14-,16-,18+/m1/s1