sodium 3,4-dicarboxy-2,5-dimethyl-benzenesulfonate

Systemtic Name: sodium 3,4-dicarboxy-2,5-dimethyl-benzenesulfonate Openeye Name: sodium 3,4-dicarboxy-2,5-dimethyl-benzenesulfonate CAS Name: sodium 3,4-dicarboxy-2,5-dimethylbenzenesulfonate IUPAC Name: sodium 3,4-dicarboxy-2,5-dimethylbenzenesulfonate Traditional Name: sodium 3,4-dicarboxy-2,5-dimethyl-besylate Formula: C10H9NaO7S MolecularWeight: 296.22903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)O)C(=O)O)C)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)O)C(=O)O)C)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C10H10O7S.Na/c1-4-3-6(18(15,16)17)5(2)8(10(13)14)7(4)9(11)12;/h3H,1-2H3,(H,11,12)(H,13,14)(H,15,16,17);/q;+1/p-1