3-ethanoylheptane-1,3,5,7-tetracarboxylic acid

Systemtic Name: 3-ethanoylheptane-1,3,5,7-tetracarboxylic acid Openeye Name: 3-acetylheptane-1,3,5,7-tetracarboxylic acid CAS Name: 3-acetylheptane-1,3,5,7-tetracarboxylic acid IUPAC Name: 3-acetylheptane-1,3,5,7-tetracarboxylic acid Traditional Name: 3-acetylheptane-1,3,5,7-tetracarboxylic acid Formula: C13H18O9 MolecularWeight: 318.27662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O9/c1-7(14)13(12(21)22,5-4-10(17)18)6-8(11(19)20)2-3-9(15)16/h8H,2-6H2,1H3,(H,15,16)(H,17,18)(H,19,20)(H,21,22)