2-[[(1R)-1-ethoxycarbonyl-2-oxidanylidene-cyclohexyl]methyl]propanedioic acid

Systemtic Name: 2-[[(1R)-1-ethoxycarbonyl-2-oxidanylidene-cyclohexyl]methyl]propanedioic acid Openeye Name: 2-[[(1R)-1-ethoxycarbonyl-2-oxo-cyclohexyl]methyl]propanedioic acid CAS Name: 2-[[(1R)-1-ethoxycarbonyl-2-oxocyclohexyl]methyl]propanedioic acid IUPAC Name: 2-[[(1R)-1-ethoxycarbonyl-2-oxocyclohexyl]methyl]propanedioic acid Traditional Name: 2-[[(1R)-1-carbethoxy-2-keto-cyclohexyl]methyl]malonic acid Formula: C13H18O7 MolecularWeight: 286.27782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCCC1=O)CC(C(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)[C@]1(CCCCC1=O)CC(C(=O)O)C(=O)O

InChI

InChI=1S/C13H18O7/c1-2-20-12(19)13(6-4-3-5-9(13)14)7-8(10(15)16)11(17)18/h8H,2-7H2,1H3,(H,15,16)(H,17,18)/t13-/m1/s1