sodium 2-methyl-6-(trifluoromethyloxy)benzenesulfonate

Systemtic Name: sodium 2-methyl-6-(trifluoromethyloxy)benzenesulfonate Openeye Name: sodium 2-methyl-6-(trifluoromethoxy)benzenesulfonate CAS Name: sodium 2-methyl-6-(trifluoromethoxy)benzenesulfonate IUPAC Name: sodium 2-methyl-6-(trifluoromethoxy)benzenesulfonate Traditional Name: sodium 2-methyl-6-(trifluoromethoxy)besylate Formula: C8H6F3NaO4S MolecularWeight: 278.18082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7F3O4S.Na/c1-5-3-2-4-6(15-8(9,10)11)7(5)16(12,13)14;/h2-4H,1H3,(H,12,13,14);/q;+1/p-1