2-(1,2,2-trimethyl-7-methylidene-4-oxidanylidene-cycloheptyl)ethanoic acid

Systemtic Name: 2-(1,2,2-trimethyl-7-methylidene-4-oxidanylidene-cycloheptyl)ethanoic acid Openeye Name: 2-(1,2,2-trimethyl-7-methylene-4-oxo-cycloheptyl)acetic acid CAS Name: 2-(1,2,2-trimethyl-7-methylene-4-oxocycloheptyl)acetic acid IUPAC Name: 2-(1,2,2-trimethyl-7-methylidene-4-oxocycloheptyl)acetic acid Traditional Name: 2-(4-keto-1,2,2-trimethyl-7-methylene-cycloheptyl)acetic acid Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)CCC(=C)C1(C)CC(=O)O)C

Isomeric SMILES

CC1(CC(=O)CCC(=C)C1(C)CC(=O)O)C

InChI

InChI=1S/C13H20O3/c1-9-5-6-10(14)7-12(2,3)13(9,4)8-11(15)16/h1,5-8H2,2-4H3,(H,15,16)