sodium 2-ethyl-6-(trifluoromethyloxy)benzenesulfonate

Systemtic Name: sodium 2-ethyl-6-(trifluoromethyloxy)benzenesulfonate Openeye Name: sodium 2-ethyl-6-(trifluoromethoxy)benzenesulfonate CAS Name: sodium 2-ethyl-6-(trifluoromethoxy)benzenesulfonate IUPAC Name: sodium 2-ethyl-6-(trifluoromethoxy)benzenesulfonate Traditional Name: sodium 2-ethyl-6-(trifluoromethoxy)besylate Formula: C9H8F3NaO4S MolecularWeight: 292.2074

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)OC(F)(F)F)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC1=C(C(=CC=C1)OC(F)(F)F)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C9H9F3O4S.Na/c1-2-6-4-3-5-7(16-9(10,11)12)8(6)17(13,14)15;/h3-5H,2H2,1H3,(H,13,14,15);/q;+1/p-1