[(1S)-4-ethynyl-3,5,5-trimethyl-2-oxidanylidene-cyclohex-3-en-1-yl] ethanoate

Systemtic Name: [(1S)-4-ethynyl-3,5,5-trimethyl-2-oxidanylidene-cyclohex-3-en-1-yl] ethanoate Openeye Name: [(1S)-4-ethynyl-3,5,5-trimethyl-2-oxo-cyclohex-3-en-1-yl] acetate CAS Name: acetic acid [(1S)-4-ethynyl-3,5,5-trimethyl-2-oxo-1-cyclohex-3-enyl] ester IUPAC Name: [(1S)-4-ethynyl-3,5,5-trimethyl-2-oxocyclohex-3-en-1-yl] acetate Traditional Name: acetic acid [(1S)-4-ethynyl-2-keto-3,5,5-trimethyl-cyclohex-3-en-1-yl] ester Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(C1=O)OC(=O)C)(C)C)C#C

Isomeric SMILES

CC1=C(C(C[C@@H](C1=O)OC(=O)C)(C)C)C#C

InChI

InChI=1S/C13H16O3/c1-6-10-8(2)12(15)11(16-9(3)14)7-13(10,4)5/h1,11H,7H2,2-5H3/t11-/m0/s1