sodium 2-(methoxymethyl)-6-(trifluoromethyl)benzenesulfonate

Systemtic Name: sodium 2-(methoxymethyl)-6-(trifluoromethyl)benzenesulfonate Openeye Name: sodium 2-(methoxymethyl)-6-(trifluoromethyl)benzenesulfonate CAS Name: sodium 2-(methoxymethyl)-6-(trifluoromethyl)benzenesulfonate IUPAC Name: sodium 2-(methoxymethyl)-6-(trifluoromethyl)benzenesulfonate Traditional Name: sodium 2-(methoxymethyl)-6-(trifluoromethyl)besylate Formula: C9H8F3NaO4S MolecularWeight: 292.2074

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C(=CC=C1)C(F)(F)F)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

COCC1=C(C(=CC=C1)C(F)(F)F)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C9H9F3O4S.Na/c1-16-5-6-3-2-4-7(9(10,11)12)8(6)17(13,14)15;/h2-4H,5H2,1H3,(H,13,14,15);/q;+1/p-1