benzene-1,2,4-tricarboxylate; 2-ethyl-3-oxidanylidene-butanoate

Systemtic Name: benzene-1,2,4-tricarboxylate; 2-ethyl-3-oxidanylidene-butanoate Openeye Name: benzene-1,2,4-tricarboxylate; 2-ethyl-3-oxo-butanoate CAS Name: benzene-1,2,4-tricarboxylate; 2-ethyl-3-oxobutanoate IUPAC Name: benzene-1,2,4-tricarboxylate; 2-ethyl-3-oxobutanoate Traditional Name: benzene-1,2,4-tricarboxylate; 2-ethyl-3-keto-butyrate Formula: C15H12O9-4 MolecularWeight: 336.25038

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C)C(=O)[O-].C1=CC(=C(C=C1C(=O)[O-])C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC(C(=O)C)C(=O)[O-].C1=CC(=C(C=C1C(=O)[O-])C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C9H6O6.C6H10O3/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15;1-3-5(4(2)7)6(8)9/h1-3H,(H,10,11)(H,12,13)(H,14,15);5H,3H2,1-2H3,(H,8,9)/p-4