2-(4-ethoxycarbonyl-4-methyl-3-oxidanylidene-cyclohexyl)propanedioic acid

Systemtic Name: 2-(4-ethoxycarbonyl-4-methyl-3-oxidanylidene-cyclohexyl)propanedioic acid Openeye Name: 2-(4-ethoxycarbonyl-4-methyl-3-oxo-cyclohexyl)propanedioic acid CAS Name: 2-(4-ethoxycarbonyl-4-methyl-3-oxocyclohexyl)propanedioic acid IUPAC Name: 2-(4-ethoxycarbonyl-4-methyl-3-oxocyclohexyl)propanedioic acid Traditional Name: 2-(4-carbethoxy-3-keto-4-methyl-cyclohexyl)malonic acid Formula: C13H18O7 MolecularWeight: 286.27782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O7/c1-3-20-12(19)13(2)5-4-7(6-8(13)14)9(10(15)16)11(17)18/h7,9H,3-6H2,1-2H3,(H,15,16)(H,17,18)