2-(4-oxidanylidenehexan-2-yl)propanedioic acid

Systemtic Name: 2-(4-oxidanylidenehexan-2-yl)propanedioic acid Openeye Name: 2-(1-methyl-3-oxo-pentyl)propanedioic acid CAS Name: 2-(4-oxohexan-2-yl)propanedioic acid IUPAC Name: 2-(4-oxohexan-2-yl)propanedioic acid Traditional Name: 2-(3-keto-1-methyl-pentyl)malonic acid Formula: C9H14O5 MolecularWeight: 202.20446

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(C)C(C(=O)O)C(=O)O

Isomeric SMILES

CCC(=O)CC(C)C(C(=O)O)C(=O)O

InChI

InChI=1S/C9H14O5/c1-3-6(10)4-5(2)7(8(11)12)9(13)14/h5,7H,3-4H2,1-2H3,(H,11,12)(H,13,14)