3-propylbenzene-1,2,4-tricarboxylate

Systemtic Name: 3-propylbenzene-1,2,4-tricarboxylate Openeye Name: 3-propylbenzene-1,2,4-tricarboxylate CAS Name: 3-propylbenzene-1,2,4-tricarboxylate IUPAC Name: 3-propylbenzene-1,2,4-tricarboxylate Traditional Name: 3-propylbenzene-1,2,4-tricarboxylate Formula: C12H9O6-3 MolecularWeight: 249.19626

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1C(=O)[O-])C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCC1=C(C=CC(=C1C(=O)[O-])C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H12O6/c1-2-3-6-7(10(13)14)4-5-8(11(15)16)9(6)12(17)18/h4-5H,2-3H2,1H3,(H,13,14)(H,15,16)(H,17,18)/p-3