[1-ethynyl-2-(3-oxidanylidenepropyl)cyclohexyl] ethanoate

Systemtic Name: [1-ethynyl-2-(3-oxidanylidenepropyl)cyclohexyl] ethanoate Openeye Name: [1-ethynyl-2-(3-oxopropyl)cyclohexyl] acetate CAS Name: acetic acid [1-ethynyl-2-(3-oxopropyl)cyclohexyl] ester IUPAC Name: [1-ethynyl-2-(3-oxopropyl)cyclohexyl] acetate Traditional Name: acetic acid [1-ethynyl-2-(3-ketopropyl)cyclohexyl] ester Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(CCCCC1CCC=O)C#C

Isomeric SMILES

CC(=O)OC1(CCCCC1CCC=O)C#C

InChI

InChI=1S/C13H18O3/c1-3-13(16-11(2)15)9-5-4-7-12(13)8-6-10-14/h1,10,12H,4-9H2,2H3