trimagnesium 5-sulfonatobenzene-1,3-dicarboxylate

Systemtic Name: trimagnesium 5-sulfonatobenzene-1,3-dicarboxylate Openeye Name: trimagnesium 5-sulfonatobenzene-1,3-dicarboxylate CAS Name: trimagnesium 5-sulfonatobenzene-1,3-dicarboxylate IUPAC Name: trimagnesium 5-sulfonatobenzene-1,3-dicarboxylate Traditional Name: trimagnesium 5-sulfonatoisophthalate Formula: C16H6Mg3O14S2 MolecularWeight: 559.25544

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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-].C1=C(C=C(C=C1C(=O)[O-])S(=O)(=O)[O-])C(=O)[O-].[Mg+2].[Mg+2].[Mg+2]

Isomeric SMILES

C1=C(C=C(C=C1C(=O)[O-])S(=O)(=O)[O-])C(=O)[O-].C1=C(C=C(C=C1C(=O)[O-])S(=O)(=O)[O-])C(=O)[O-].[Mg+2].[Mg+2].[Mg+2]

InChI

InChI=1S/2C8H6O7S.3Mg/c2*9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15;;;/h2*1-3H,(H,9,10)(H,11,12)(H,13,14,15);;;/q;;3*+2/p-6