trisodium 5-sulfobenzene-1,3-dicarboxylate

Systemtic Name: trisodium 5-sulfobenzene-1,3-dicarboxylate Openeye Name: trisodium 5-sulfobenzene-1,3-dicarboxylate CAS Name: trisodium 5-sulfobenzene-1,3-dicarboxylate IUPAC Name: trisodium 5-sulfobenzene-1,3-dicarboxylate Traditional Name: trisodium 5-sulfoisophthalate Formula: C8H4Na3O7S+ MolecularWeight: 313.14747

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)[O-])S(=O)(=O)O)C(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=C(C=C(C=C1C(=O)[O-])S(=O)(=O)O)C(=O)[O-].[Na+].[Na+].[Na+]

InChI

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