2-(3-acetyloxy-4-methyl-2-oxidanylidene-cyclohexyl)pentanedioic acid

Systemtic Name: 2-(3-acetyloxy-4-methyl-2-oxidanylidene-cyclohexyl)pentanedioic acid Openeye Name: 2-(3-acetoxy-4-methyl-2-oxo-cyclohexyl)pentanedioic acid CAS Name: 2-(3-acetyloxy-4-methyl-2-oxocyclohexyl)pentanedioic acid IUPAC Name: 2-(3-acetyloxy-4-methyl-2-oxocyclohexyl)pentanedioic acid Traditional Name: 2-(3-acetoxy-2-keto-4-methyl-cyclohexyl)glutaric acid Formula: C14H20O7 MolecularWeight: 300.3044

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=O)C1OC(=O)C)C(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1CCC(C(=O)C1OC(=O)C)C(CCC(=O)O)C(=O)O

InChI

InChI=1S/C14H20O7/c1-7-3-4-9(12(18)13(7)21-8(2)15)10(14(19)20)5-6-11(16)17/h7,9-10,13H,3-6H2,1-2H3,(H,16,17)(H,19,20)