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

Systemtic Name: (3,5-dimethyl-4-oxidanyl-phenyl)-diethyl-sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: diethyl-(4-hydroxy-3,5-dimethyl-phenyl)sulfonium; trifluoromethanesulfonate CAS Name: diethyl-(4-hydroxy-3,5-dimethylphenyl)sulfonium; trifluoromethanesulfonate IUPAC Name: diethyl-(4-hydroxy-3,5-dimethylphenyl)sulfanium; trifluoromethanesulfonate Traditional Name: diethyl-(4-hydroxy-3,5-dimethyl-phenyl)sulfonium triflate Formula: C13H19F3O4S2 MolecularWeight: 360.41277

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18OS.CHF3O3S/c1-5-14(6-2)11-7-9(3)12(13)10(4)8-11;2-1(3,4)8(5,6)7/h7-8H,5-6H2,1-4H3;(H,5,6,7)