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

Systemtic Name: trisodium 4-butylbenzene-1,2,3-tricarboxylate Openeye Name: trisodium 4-butylbenzene-1,2,3-tricarboxylate CAS Name: trisodium 4-butylbenzene-1,2,3-tricarboxylate IUPAC Name: trisodium 4-butylbenzene-1,2,3-tricarboxylate Traditional Name: trisodium 4-butylbenzene-1,2,3-tricarboxylate Formula: C13H11Na3O6 MolecularWeight: 332.19215

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

InChI

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