2-(1-ethyl-2-oxidanylidene-4-prop-2-ynyl-cyclohexyl)ethanoic acid

Systemtic Name: 2-(1-ethyl-2-oxidanylidene-4-prop-2-ynyl-cyclohexyl)ethanoic acid Openeye Name: 2-(1-ethyl-2-oxo-4-prop-2-ynyl-cyclohexyl)acetic acid CAS Name: 2-(1-ethyl-2-oxo-4-prop-2-ynylcyclohexyl)acetic acid IUPAC Name: 2-(1-ethyl-2-oxo-4-prop-2-ynylcyclohexyl)acetic acid Traditional Name: 2-(1-ethyl-2-keto-4-propargyl-cyclohexyl)acetic acid Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC(CC1=O)CC#C)CC(=O)O

Isomeric SMILES

CCC1(CCC(CC1=O)CC#C)CC(=O)O

InChI

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