sodium 2-methylsulfanyl-6-(trifluoromethyl)benzenesulfonate

Systemtic Name: sodium 2-methylsulfanyl-6-(trifluoromethyl)benzenesulfonate Openeye Name: sodium 2-methylsulfanyl-6-(trifluoromethyl)benzenesulfonate CAS Name: sodium 2-(methylthio)-6-(trifluoromethyl)benzenesulfonate IUPAC Name: sodium 2-methylsulfanyl-6-(trifluoromethyl)benzenesulfonate Traditional Name: sodium 2-(methylthio)-6-(trifluoromethyl)besylate Formula: C8H6F3NaO3S2 MolecularWeight: 294.24642

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1S(=O)(=O)[O-])C(F)(F)F.[Na+]

Isomeric SMILES

CSC1=CC=CC(=C1S(=O)(=O)[O-])C(F)(F)F.[Na+]

InChI

InChI=1S/C8H7F3O3S2.Na/c1-15-6-4-2-3-5(8(9,10)11)7(6)16(12,13)14;/h2-4H,1H3,(H,12,13,14);/q;+1/p-1