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

Systemtic Name: 2-(1-ethyl-2-oxidanylidene-4-prop-2-enyl-cyclohexyl)ethanoic acid Openeye Name: 2-(4-allyl-1-ethyl-2-oxo-cyclohexyl)acetic acid CAS Name: 2-(1-ethyl-2-oxo-4-prop-2-enylcyclohexyl)acetic acid IUPAC Name: 2-(1-ethyl-2-oxo-4-prop-2-enylcyclohexyl)acetic acid Traditional Name: 2-(4-allyl-1-ethyl-2-keto-cyclohexyl)acetic acid Formula: C13H20O3 MolecularWeight: 224.2961

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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/C13H20O3/c1-3-5-10-6-7-13(4-2,9-12(15)16)11(14)8-10/h3,10H,1,4-9H2,2H3,(H,15,16)