3-butyl-4-oxidanylidene-cyclohexane-1-carboxylic acid

Systemtic Name: 3-butyl-4-oxidanylidene-cyclohexane-1-carboxylic acid Openeye Name: 3-butyl-4-oxo-cyclohexanecarboxylic acid CAS Name: 3-butyl-4-oxo-1-cyclohexanecarboxylic acid IUPAC Name: 3-butyl-4-oxocyclohexane-1-carboxylic acid Traditional Name: 3-butyl-4-keto-cyclohexanecarboxylic acid Formula: C11H18O3 MolecularWeight: 198.25882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(CCC1=O)C(=O)O

Isomeric SMILES

CCCCC1CC(CCC1=O)C(=O)O

InChI

InChI=1S/C11H18O3/c1-2-3-4-8-7-9(11(13)14)5-6-10(8)12/h8-9H,2-7H2,1H3,(H,13,14)