[(6S)-6-but-2-ynyl-6-methyl-5-oxidanylidene-cyclohexen-1-yl] ethanoate

Systemtic Name: [(6S)-6-but-2-ynyl-6-methyl-5-oxidanylidene-cyclohexen-1-yl] ethanoate Openeye Name: [(6S)-6-but-2-ynyl-6-methyl-5-oxo-cyclohexen-1-yl] acetate CAS Name: acetic acid [(6S)-6-but-2-ynyl-6-methyl-5-oxo-1-cyclohexenyl] ester IUPAC Name: [(6S)-6-but-2-ynyl-6-methyl-5-oxocyclohexen-1-yl] acetate Traditional Name: acetic acid [(6S)-6-but-2-ynyl-5-keto-6-methyl-cyclohexen-1-yl] ester Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC1(C(=O)CCC=C1OC(=O)C)C

Isomeric SMILES

CC#CC[C@@]1(C(=O)CCC=C1OC(=O)C)C

InChI

InChI=1S/C13H16O3/c1-4-5-9-13(3)11(15)7-6-8-12(13)16-10(2)14/h8H,6-7,9H2,1-3H3/t13-/m1/s1