dimethyl-(2,3,5-trimethyl-4-oxidanyl-phenyl)sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: dimethyl-(2,3,5-trimethyl-4-oxidanyl-phenyl)sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: (4-hydroxy-2,3,5-trimethyl-phenyl)-dimethyl-sulfonium; trifluoromethanesulfonate CAS Name: (4-hydroxy-2,3,5-trimethylphenyl)-dimethylsulfonium; trifluoromethanesulfonate IUPAC Name: (4-hydroxy-2,3,5-trimethylphenyl)-dimethylsulfanium; trifluoromethanesulfonate Traditional Name: (4-hydroxy-2,3,5-trimethyl-phenyl)-dimethyl-sulfonium triflate Formula: C12H17F3O4S2 MolecularWeight: 346.38619

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1O)C)C)[S+](C)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1O)C)C)[S+](C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C11H16OS.CHF3O3S/c1-7-6-10(13(4)5)8(2)9(3)11(7)12;2-1(3,4)8(5,6)7/h6H,1-5H3;(H,5,6,7)