sodium 3,4-dimethylbenzenesulfonate

Systemtic Name: sodium 3,4-dimethylbenzenesulfonate Openeye Name: sodium 3,4-dimethylbenzenesulfonate CAS Name: sodium 3,4-dimethylbenzenesulfonate IUPAC Name: sodium 3,4-dimethylbenzenesulfonate Traditional Name: sodium 3,4-dimethylbesylate Formula: C8H9NaO3S MolecularWeight: 208.21003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10O3S.Na/c1-6-3-4-8(5-7(6)2)12(9,10)11;/h3-5H,1-2H3,(H,9,10,11);/q;+1/p-1