3-(5-tert-butyl-2-oxidanylidene-cyclohexyl)propanoic acid

Systemtic Name: 3-(5-tert-butyl-2-oxidanylidene-cyclohexyl)propanoic acid Openeye Name: 3-(5-tert-butyl-2-oxo-cyclohexyl)propanoic acid CAS Name: 3-(5-tert-butyl-2-oxocyclohexyl)propanoic acid IUPAC Name: 3-(5-tert-butyl-2-oxocyclohexyl)propanoic acid Traditional Name: 3-(5-tert-butyl-2-keto-cyclohexyl)propionic acid Formula: C13H22O3 MolecularWeight: 226.31198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(=O)C(C1)CCC(=O)O

Isomeric SMILES

CC(C)(C)C1CCC(=O)C(C1)CCC(=O)O

InChI

InChI=1S/C13H22O3/c1-13(2,3)10-5-6-11(14)9(8-10)4-7-12(15)16/h9-10H,4-8H2,1-3H3,(H,15,16)