4-methylbenzenesulfonate; 1-methyl-2-methylsulfanyl-5-(trifluoromethyl)pyridin-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 1-methyl-2-methylsulfanyl-5-(trifluoromethyl)pyridin-1-ium Openeye Name: 4-methylbenzenesulfonate; 1-methyl-2-methylsulfanyl-5-(trifluoromethyl)pyridin-1-ium CAS Name: 4-methylbenzenesulfonate; 1-methyl-2-(methylthio)-5-(trifluoromethyl)pyridin-1-ium IUPAC Name: 4-methylbenzenesulfonate; 1-methyl-2-methylsulfanyl-5-(trifluoromethyl)pyridin-1-ium Traditional Name: 1-methyl-2-(methylthio)-5-(trifluoromethyl)pyridin-1-ium tosylate Formula: C15H16F3NO3S2 MolecularWeight: 379.41765

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C(C=CC(=C1)C(F)(F)F)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C(C=CC(=C1)C(F)(F)F)SC

InChI

InChI=1S/C8H9F3NS.C7H8O3S/c1-12-5-6(8(9,10)11)3-4-7(12)13-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-5H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1