5-(3,3-dimethyl-2-oxidanylidene-cyclohexyl)pentanoic acid

Systemtic Name: 5-(3,3-dimethyl-2-oxidanylidene-cyclohexyl)pentanoic acid Openeye Name: 5-(3,3-dimethyl-2-oxo-cyclohexyl)pentanoic acid CAS Name: 5-(3,3-dimethyl-2-oxocyclohexyl)pentanoic acid IUPAC Name: 5-(3,3-dimethyl-2-oxocyclohexyl)pentanoic acid Traditional Name: 5-(2-keto-3,3-dimethyl-cyclohexyl)valeric acid Formula: C13H22O3 MolecularWeight: 226.31198

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(C1=O)CCCCC(=O)O)C

Isomeric SMILES

CC1(CCCC(C1=O)CCCCC(=O)O)C

InChI

InChI=1S/C13H22O3/c1-13(2)9-5-7-10(12(13)16)6-3-4-8-11(14)15/h10H,3-9H2,1-2H3,(H,14,15)