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

Systemtic Name: bis(3,5-dimethyl-4-oxidanyl-phenyl)-methyl-sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: bis(4-hydroxy-3,5-dimethyl-phenyl)-methyl-sulfonium; trifluoromethanesulfonate CAS Name: bis(4-hydroxy-3,5-dimethylphenyl)-methylsulfonium; trifluoromethanesulfonate IUPAC Name: bis(4-hydroxy-3,5-dimethylphenyl)-methylsulfanium; trifluoromethanesulfonate Traditional Name: bis(4-hydroxy-3,5-dimethyl-phenyl)-methyl-sulfonium triflate Formula: C18H21F3O5S2 MolecularWeight: 438.48155

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)[S+](C)C2=CC(=C(C(=C2)C)O)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1O)C)[S+](C)C2=CC(=C(C(=C2)C)O)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C17H20O2S.CHF3O3S/c1-10-6-14(7-11(2)16(10)18)20(5)15-8-12(3)17(19)13(4)9-15;2-1(3,4)8(5,6)7/h6-9H,1-5H3,(H-,18,19);(H,5,6,7)