(1-ethynylcyclohexyl) 3-oxidanylidenebutanoate

Systemtic Name: (1-ethynylcyclohexyl) 3-oxidanylidenebutanoate Openeye Name: (1-ethynylcyclohexyl) 3-oxobutanoate CAS Name: 3-oxobutanoic acid (1-ethynylcyclohexyl) ester IUPAC Name: (1-ethynylcyclohexyl) 3-oxobutanoate Traditional Name: 3-ketobutyric acid (1-ethynylcyclohexyl) ester Formula: C12H16O3 MolecularWeight: 208.25364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OC1(CCCCC1)C#C

Isomeric SMILES

CC(=O)CC(=O)OC1(CCCCC1)C#C

InChI

InChI=1S/C12H16O3/c1-3-12(7-5-4-6-8-12)15-11(14)9-10(2)13/h1H,4-9H2,2H3