sodium 5-sulfobenzene-1,3-dicarboxylate

Systemtic Name: sodium 5-sulfobenzene-1,3-dicarboxylate Openeye Name: sodium 5-sulfobenzene-1,3-dicarboxylate CAS Name: sodium 5-sulfobenzene-1,3-dicarboxylate IUPAC Name: sodium 5-sulfobenzene-1,3-dicarboxylate Traditional Name: sodium 5-sulfoisophthalate Formula: C8H4NaO7S- MolecularWeight: 267.16793

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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+]

Isomeric SMILES

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

InChI

InChI=1S/C8H6O7S.Na/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;+1/p-2