sodium 2,4-dimethylbenzene-1,3-dicarboxylate sulfate

Systemtic Name: sodium 2,4-dimethylbenzene-1,3-dicarboxylate sulfate Openeye Name: sodium 2,4-dimethylbenzene-1,3-dicarboxylate sulfate CAS Name: sodium 2,4-dimethylbenzene-1,3-dicarboxylate sulfate IUPAC Name: sodium 2,4-dimethylbenzene-1,3-dicarboxylate sulfate Traditional Name: sodium 2,4-dimethylisophthalate sulfate Formula: C10H8NaO8S-3 MolecularWeight: 311.22049

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)[O-])C)C(=O)[O-].[O-]S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)[O-])C)C(=O)[O-].[O-]S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C10H10O4.Na.H2O4S/c1-5-3-4-7(9(11)12)6(2)8(5)10(13)14;;1-5(2,3)4/h3-4H,1-2H3,(H,11,12)(H,13,14);;(H2,1,2,3,4)/q;+1;/p-4