2,6,6-trimethyl-3-oxidanylidene-cyclohexene-1-carboxylic acid

Systemtic Name: 2,6,6-trimethyl-3-oxidanylidene-cyclohexene-1-carboxylic acid Openeye Name: 2,6,6-trimethyl-3-oxo-cyclohexene-1-carboxylic acid CAS Name: 2,6,6-trimethyl-3-oxo-1-cyclohexenecarboxylic acid IUPAC Name: 2,6,6-trimethyl-3-oxocyclohexene-1-carboxylic acid Traditional Name: 3-keto-2,6,6-trimethyl-cyclohexene-1-carboxylic acid Formula: C10H14O3 MolecularWeight: 182.21636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1=O)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(CCC1=O)(C)C)C(=O)O

InChI

InChI=1S/C10H14O3/c1-6-7(11)4-5-10(2,3)8(6)9(12)13/h4-5H2,1-3H3,(H,12,13)