sodium 3,5-dicarboxy-2-methyl-benzenesulfonate

Systemtic Name: sodium 3,5-dicarboxy-2-methyl-benzenesulfonate Openeye Name: sodium 3,5-dicarboxy-2-methyl-benzenesulfonate CAS Name: sodium 3,5-dicarboxy-2-methylbenzenesulfonate IUPAC Name: sodium 3,5-dicarboxy-2-methylbenzenesulfonate Traditional Name: sodium 3,5-dicarboxy-2-methyl-besylate Formula: C9H7NaO7S MolecularWeight: 282.20245

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)[O-])C(=O)O)C(=O)O.[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)[O-])C(=O)O)C(=O)O.[Na+]

InChI

InChI=1S/C9H8O7S.Na/c1-4-6(9(12)13)2-5(8(10)11)3-7(4)17(14,15)16;/h2-3H,1H3,(H,10,11)(H,12,13)(H,14,15,16);/q;+1/p-1