(4-methylphenyl)carbonylsulfanium; 4-(trifluoromethyl)benzenesulfonate

Systemtic Name: (4-methylphenyl)carbonylsulfanium; 4-(trifluoromethyl)benzenesulfonate Openeye Name: (4-methylbenzoyl)sulfonium; 4-(trifluoromethyl)benzenesulfonate CAS Name: [(4-methylphenyl)-oxomethyl]sulfonium; 4-(trifluoromethyl)benzenesulfonate IUPAC Name: (4-methylbenzoyl)sulfanium; 4-(trifluoromethyl)benzenesulfonate Traditional Name: p-toluoylsulfonium; 4-(trifluoromethyl)besylate Formula: C15H13F3O4S2 MolecularWeight: 378.38653

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)[SH2+].C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[SH2+].C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)[O-]

InChI

InChI=1S/C8H8OS.C7H5F3O3S/c1-6-2-4-7(5-3-6)8(9)10;8-7(9,10)5-1-3-6(4-2-5)14(11,12)13/h2-5H,1H3,(H,9,10);1-4H,(H,11,12,13)