dimethyl-[3-oxidanylidene-3-[[4-(trifluoromethyl)phenyl]amino]propyl]sulfanium; 4-methylbenzenesulfonate

Systemtic Name: dimethyl-[3-oxidanylidene-3-[[4-(trifluoromethyl)phenyl]amino]propyl]sulfanium; 4-methylbenzenesulfonate Openeye Name: dimethyl-[3-oxo-3-[4-(trifluoromethyl)anilino]propyl]sulfonium; 4-methylbenzenesulfonate CAS Name: dimethyl-[3-oxo-3-[4-(trifluoromethyl)anilino]propyl]sulfonium; 4-methylbenzenesulfonate IUPAC Name: dimethyl-[3-oxo-3-[4-(trifluoromethyl)anilino]propyl]sulfanium; 4-methylbenzenesulfonate Traditional Name: [3-keto-3-[4-(trifluoromethyl)anilino]propyl]-dimethyl-sulfonium tosylate Formula: C19H22F3NO4S2 MolecularWeight: 449.50749

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[S+](C)CCC(=O)NC1=CC=C(C=C1)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[S+](C)CCC(=O)NC1=CC=C(C=C1)C(F)(F)F

InChI

InChI=1S/C12H14F3NOS.C7H8O3S/c1-18(2)8-7-11(17)16-10-5-3-9(4-6-10)12(13,14)15;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,7-8H2,1-2H3;2-5H,1H3,(H,8,9,10)