2-[4-(2-methylpropyl)-2-oxidanylidene-cyclohex-3-en-1-yl]propanoic acid

Systemtic Name: 2-[4-(2-methylpropyl)-2-oxidanylidene-cyclohex-3-en-1-yl]propanoic acid Openeye Name: 2-(4-isobutyl-2-oxo-cyclohex-3-en-1-yl)propanoic acid CAS Name: 2-[4-(2-methylpropyl)-2-oxo-1-cyclohex-3-enyl]propanoic acid IUPAC Name: 2-[4-(2-methylpropyl)-2-oxocyclohex-3-en-1-yl]propanoic acid Traditional Name: 2-(4-isobutyl-2-keto-cyclohex-3-en-1-yl)propionic acid Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=O)C(CC1)C(C)C(=O)O

Isomeric SMILES

CC(C)CC1=CC(=O)C(CC1)C(C)C(=O)O

InChI

InChI=1S/C13H20O3/c1-8(2)6-10-4-5-11(12(14)7-10)9(3)13(15)16/h7-9,11H,4-6H2,1-3H3,(H,15,16)