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

Systemtic Name: methyl (1S,2R,6R)-1,2-dimethyl-3-oxidanylidene-2-(3-oxidanylidenebutyl)-6-(phenylmethoxymethyl)cyclohexane-1-carboxylate Openeye Name: methyl (1S,2R,6R)-6-(benzyloxymethyl)-1,2-dimethyl-3-oxo-2-(3-oxobutyl)cyclohexanecarboxylate CAS Name: (1S,2R,6R)-1,2-dimethyl-3-oxo-2-(3-oxobutyl)-6-(phenylmethoxymethyl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R,6R)-1,2-dimethyl-3-oxo-2-(3-oxobutyl)-6-(phenylmethoxymethyl)cyclohexane-1-carboxylate Traditional Name: (1S,2R,6R)-6-(benzoxymethyl)-3-keto-2-(3-ketobutyl)-1,2-dimethyl-cyclohexanecarboxylic acid methyl ester Formula: C22H30O5 MolecularWeight: 374.4706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1(C(=O)CCC(C1(C)C(=O)OC)COCC2=CC=CC=C2)C

Isomeric SMILES

CC(=O)CC[C@]1(C(=O)CC[C@H]([C@]1(C)C(=O)OC)COCC2=CC=CC=C2)C

InChI

InChI=1S/C22H30O5/c1-16(23)12-13-21(2)19(24)11-10-18(22(21,3)20(25)26-4)15-27-14-17-8-6-5-7-9-17/h5-9,18H,10-15H2,1-4H3/t18-,21-,22+/m0/s1