(4-methylphenyl)sulfanium; 2-(trifluoromethyl)benzenesulfonate

Systemtic Name: (4-methylphenyl)sulfanium; 2-(trifluoromethyl)benzenesulfonate Openeye Name: p-tolylsulfonium; 2-(trifluoromethyl)benzenesulfonate CAS Name: (4-methylphenyl)sulfonium; 2-(trifluoromethyl)benzenesulfonate IUPAC Name: (4-methylphenyl)sulfanium; 2-(trifluoromethyl)benzenesulfonate Traditional Name: p-tolylsulfonium; 2-(trifluoromethyl)besylate Formula: C14H13F3O3S2 MolecularWeight: 350.37643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[SH2+].C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[SH2+].C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)[O-]

InChI

InChI=1S/C7H5F3O3S.C7H8S/c8-7(9,10)5-3-1-2-4-6(5)14(11,12)13;1-6-2-4-7(8)5-3-6/h1-4H,(H,11,12,13);2-5,8H,1H3