trisodium 4-sulfophthalate

Systemtic Name: trisodium 4-sulfophthalate Openeye Name: trisodium 4-sulfophthalate CAS Name: trisodium 4-sulfophthalate IUPAC Name: trisodium 4-sulfophthalate Traditional Name: trisodium 4-sulfophthalate Formula: C8H4Na3O7S+ MolecularWeight: 313.14747

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)O)C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)O)C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

InChI

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