3-[(1S,2R)-1,2-dimethyl-6-oxidanylidene-cyclohexyl]propanoic acid

Systemtic Name: 3-[(1S,2R)-1,2-dimethyl-6-oxidanylidene-cyclohexyl]propanoic acid Openeye Name: 3-[(1S,2R)-1,2-dimethyl-6-oxo-cyclohexyl]propanoic acid CAS Name: 3-[(1S,2R)-1,2-dimethyl-6-oxocyclohexyl]propanoic acid IUPAC Name: 3-[(1S,2R)-1,2-dimethyl-6-oxocyclohexyl]propanoic acid Traditional Name: 3-[(1S,6R)-2-keto-1,6-dimethyl-cyclohexyl]propionic acid Formula: C11H18O3 MolecularWeight: 198.25882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=O)C1(C)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C11H18O3/c1-8-4-3-5-9(12)11(8,2)7-6-10(13)14/h8H,3-7H2,1-2H3,(H,13,14)/t8-,11+/m1/s1