methyl 5-ethynyl-2-oxidanylidene-5-prop-2-ynyl-cyclohexane-1-carboxylate

Systemtic Name: methyl 5-ethynyl-2-oxidanylidene-5-prop-2-ynyl-cyclohexane-1-carboxylate Openeye Name: methyl 5-ethynyl-2-oxo-5-prop-2-ynyl-cyclohexanecarboxylate CAS Name: 5-ethynyl-2-oxo-5-prop-2-ynyl-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 5-ethynyl-2-oxo-5-prop-2-ynylcyclohexane-1-carboxylate Traditional Name: 5-ethynyl-2-keto-5-propargyl-cyclohexanecarboxylic acid methyl ester Formula: C13H14O3 MolecularWeight: 218.24846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CCC1=O)(CC#C)C#C

Isomeric SMILES

COC(=O)C1CC(CCC1=O)(CC#C)C#C

InChI

InChI=1S/C13H14O3/c1-4-7-13(5-2)8-6-11(14)10(9-13)12(15)16-3/h1-2,10H,6-9H2,3H3