trisodium 2-sulfonatobenzene-1,3-dicarboxylate

Systemtic Name: trisodium 2-sulfonatobenzene-1,3-dicarboxylate Openeye Name: trisodium 2-sulfonatobenzene-1,3-dicarboxylate CAS Name: trisodium 2-sulfonatobenzene-1,3-dicarboxylate IUPAC Name: trisodium 2-sulfonatobenzene-1,3-dicarboxylate Traditional Name: trisodium 2-sulfonatoisophthalate Formula: C8H3Na3O7S MolecularWeight: 312.13953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6O7S.3Na/c9-7(10)4-2-1-3-5(8(11)12)6(4)16(13,14)15;;;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);;;/q;3*+1/p-3