benzene-1,2,4-tricarboxylate; butanoate

Systemtic Name: benzene-1,2,4-tricarboxylate; butanoate Openeye Name: benzene-1,2,4-tricarboxylate; butanoate CAS Name: benzene-1,2,4-tricarboxylate; butanoate IUPAC Name: benzene-1,2,4-tricarboxylate; butanoate Traditional Name: benzene-1,2,4-tricarboxylate; butyrate Formula: C13H10O8-4 MolecularWeight: 294.2137

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6O6.C4H8O2/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15;1-2-3-4(5)6/h1-3H,(H,10,11)(H,12,13)(H,14,15);2-3H2,1H3,(H,5,6)/p-4