methyl (1S,2R)-3,3-dimethyl-2-(2-oxidanylideneethyl)cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,2R)-3,3-dimethyl-2-(2-oxidanylideneethyl)cyclohexane-1-carboxylate Openeye Name: methyl (1S,2R)-3,3-dimethyl-2-(2-oxoethyl)cyclohexanecarboxylate CAS Name: (1S,2R)-3,3-dimethyl-2-(2-oxoethyl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R)-3,3-dimethyl-2-(2-oxoethyl)cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-(2-ketoethyl)-3,3-dimethyl-cyclohexanecarboxylic acid methyl ester Formula: C12H20O3 MolecularWeight: 212.2854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(C1CC=O)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C12H20O3/c1-12(2)7-4-5-9(11(14)15-3)10(12)6-8-13/h8-10H,4-7H2,1-3H3/t9-,10+/m0/s1