4-[2-(3,5-dimethyl-2-oxidanylidene-cyclohexyl)-2-oxidanyl-ethyl]piperidine-2,6-dione ethanoate

Systemtic Name: 4-[2-(3,5-dimethyl-2-oxidanylidene-cyclohexyl)-2-oxidanyl-ethyl]piperidine-2,6-dione ethanoate Openeye Name: 4-[2-(3,5-dimethyl-2-oxo-cyclohexyl)-2-hydroxy-ethyl]piperidine-2,6-dione acetate CAS Name: 4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]piperidine-2,6-dione acetate IUPAC Name: 4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]piperidine-2,6-dione acetate Traditional Name: 4-[2-hydroxy-2-(2-keto-3,5-dimethyl-cyclohexyl)ethyl]piperidine-2,6-quinone acetate Formula: C17H26NO6- MolecularWeight: 340.39144

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)C(C1)C(CC2CC(=O)NC(=O)C2)O)C.CC(=O)[O-]

Isomeric SMILES

CC1CC(C(=O)C(C1)C(CC2CC(=O)NC(=O)C2)O)C.CC(=O)[O-]

InChI

InChI=1S/C15H23NO4.C2H4O2/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10;1-2(3)4/h8-12,17H,3-7H2,1-2H3,(H,16,18,19);1H3,(H,3,4)/p-1