methyl (1S,2R,6R)-1,2-dimethyl-3-oxidanylidene-2-(3-oxidanylidenebutyl)-6-(phenylcarbonyloxymethyl)cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,2R,6R)-1,2-dimethyl-3-oxidanylidene-2-(3-oxidanylidenebutyl)-6-(phenylcarbonyloxymethyl)cyclohexane-1-carboxylate Openeye Name: methyl (1S,2R,6R)-6-(benzoyloxymethyl)-1,2-dimethyl-3-oxo-2-(3-oxobutyl)cyclohexanecarboxylate CAS Name: (1S,2R,6R)-6-(benzoyloxymethyl)-1,2-dimethyl-3-oxo-2-(3-oxobutyl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R,6R)-6-(benzoyloxymethyl)-1,2-dimethyl-3-oxo-2-(3-oxobutyl)cyclohexane-1-carboxylate Traditional Name: (1S,2R,6R)-6-(benzoyloxymethyl)-3-keto-2-(3-ketobutyl)-1,2-dimethyl-cyclohexanecarboxylic acid methyl ester Formula: C22H28O6 MolecularWeight: 388.45412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1(C(=O)CCC(C1(C)C(=O)OC)COC(=O)C2=CC=CC=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28O6/c1-15(23)12-13-21(2)18(24)11-10-17(22(21,3)20(26)27-4)14-28-19(25)16-8-6-5-7-9-16/h5-9,17H,10-14H2,1-4H3/t17-,21-,22+/m0/s1