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

Systemtic Name: methyl (3S,4R)-3,4-dimethyl-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl (3S,4R)-3,4-dimethyl-2-oxo-cyclohexanecarboxylate CAS Name: (3S,4R)-3,4-dimethyl-2-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (3S,4R)-3,4-dimethyl-2-oxocyclohexane-1-carboxylate Traditional Name: (3S,4R)-2-keto-3,4-dimethyl-cyclohexanecarboxylic acid methyl ester Formula: C10H16O3 MolecularWeight: 184.23224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=O)C1C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C10H16O3/c1-6-4-5-8(10(12)13-3)9(11)7(6)2/h6-8H,4-5H2,1-3H3/t6-,7+,8?/m1/s1