methyl (1S,2R)-1,3,3-trimethyl-4-oxidanylidene-2-(2-oxidanylideneethyl)cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,2R)-1,3,3-trimethyl-4-oxidanylidene-2-(2-oxidanylideneethyl)cyclohexane-1-carboxylate Openeye Name: methyl (1S,2R)-1,3,3-trimethyl-4-oxo-2-(2-oxoethyl)cyclohexanecarboxylate CAS Name: (1S,2R)-1,3,3-trimethyl-4-oxo-2-(2-oxoethyl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R)-1,3,3-trimethyl-4-oxo-2-(2-oxoethyl)cyclohexane-1-carboxylate Traditional Name: (1S,2R)-4-keto-2-(2-ketoethyl)-1,3,3-trimethyl-cyclohexanecarboxylic acid methyl ester Formula: C13H20O4 MolecularWeight: 240.2955

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(CCC1=O)(C)C(=O)OC)CC=O)C

Isomeric SMILES

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

InChI

InChI=1S/C13H20O4/c1-12(2)9(6-8-14)13(3,11(16)17-4)7-5-10(12)15/h8-9H,5-7H2,1-4H3/t9-,13+/m1/s1