methyl 4-[(1R,2R,3R,6R)-2,6-diethanoyl-3-methyl-3-oxidanyl-5-oxidanylidene-cyclohexyl]benzoate

Systemtic Name: methyl 4-[(1R,2R,3R,6R)-2,6-diethanoyl-3-methyl-3-oxidanyl-5-oxidanylidene-cyclohexyl]benzoate Openeye Name: methyl 4-[(1R,2R,3R,6R)-2,6-diacetyl-3-hydroxy-3-methyl-5-oxo-cyclohexyl]benzoate CAS Name: 4-[(1R,2R,3R,6R)-2,6-diacetyl-3-hydroxy-3-methyl-5-oxocyclohexyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1R,2R,3R,6R)-2,6-diacetyl-3-hydroxy-3-methyl-5-oxocyclohexyl]benzoate Traditional Name: 4-[(1R,2R,3R,6R)-2,6-diacetyl-3-hydroxy-5-keto-3-methyl-cyclohexyl]benzoic acid methyl ester Formula: C19H22O6 MolecularWeight: 346.37438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(C(C(CC1=O)(C)O)C(=O)C)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(=O)[C@H]1[C@@H]([C@H]([C@](CC1=O)(C)O)C(=O)C)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C19H22O6/c1-10(20)15-14(22)9-19(3,24)17(11(2)21)16(15)12-5-7-13(8-6-12)18(23)25-4/h5-8,15-17,24H,9H2,1-4H3/t15-,16+,17-,19-/m1/s1