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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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