3-butylbenzene-1,2,4-tricarboxylate

Systemtic Name: 3-butylbenzene-1,2,4-tricarboxylate Openeye Name: 3-butylbenzene-1,2,4-tricarboxylate CAS Name: 3-butylbenzene-1,2,4-tricarboxylate IUPAC Name: 3-butylbenzene-1,2,4-tricarboxylate Traditional Name: 3-butylbenzene-1,2,4-tricarboxylate Formula: C13H11O6-3 MolecularWeight: 263.22284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1C(=O)[O-])C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCC1=C(C=CC(=C1C(=O)[O-])C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H14O6/c1-2-3-4-7-8(11(14)15)5-6-9(12(16)17)10(7)13(18)19/h5-6H,2-4H2,1H3,(H,14,15)(H,16,17)(H,18,19)/p-3