dimethyl-(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: dimethyl-(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: (4-hydroxy-5-isopropyl-2-methyl-phenyl)-dimethyl-sulfonium; trifluoromethanesulfonate CAS Name: (4-hydroxy-2-methyl-5-propan-2-ylphenyl)-dimethylsulfonium; trifluoromethanesulfonate IUPAC Name: (4-hydroxy-2-methyl-5-propan-2-ylphenyl)-dimethylsulfanium; trifluoromethanesulfonate Traditional Name: (4-hydroxy-5-isopropyl-2-methyl-phenyl)-dimethyl-sulfonium triflate Formula: C13H19F3O4S2 MolecularWeight: 360.41277

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18OS.CHF3O3S/c1-8(2)10-7-12(14(4)5)9(3)6-11(10)13;2-1(3,4)8(5,6)7/h6-8H,1-5H3;(H,5,6,7)