trisodium 4-propylbenzene-1,2,3-tricarboxylate

Systemtic Name: trisodium 4-propylbenzene-1,2,3-tricarboxylate Openeye Name: trisodium 4-propylbenzene-1,2,3-tricarboxylate CAS Name: trisodium 4-propylbenzene-1,2,3-tricarboxylate IUPAC Name: trisodium 4-propylbenzene-1,2,3-tricarboxylate Traditional Name: trisodium 4-propylbenzene-1,2,3-tricarboxylate Formula: C12H9Na3O6 MolecularWeight: 318.16557

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

InChI

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