sodium 2,6-dimethylbenzenesulfonate

Systemtic Name: sodium 2,6-dimethylbenzenesulfonate Openeye Name: sodium 2,6-dimethylbenzenesulfonate CAS Name: sodium 2,6-dimethylbenzenesulfonate IUPAC Name: sodium 2,6-dimethylbenzenesulfonate Traditional Name: sodium 2,6-dimethylbesylate Formula: C8H9NaO3S MolecularWeight: 208.21003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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