2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol; tris(fluoranyl)methanesulfonate

Systemtic Name: 2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol; tris(fluoranyl)methanesulfonate Openeye Name: 2,6-dimethyl-4-tetrahydrothiophen-1-ium-1-yl-phenol; trifluoromethanesulfonate CAS Name: 2,6-dimethyl-4-(1-thiolan-1-iumyl)phenol; trifluoromethanesulfonate IUPAC Name: 2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol; trifluoromethanesulfonate Traditional Name: 2,6-dimethyl-4-tetrahydrothiophen-1-ium-1-yl-phenol triflate Formula: C13H17F3O4S2 MolecularWeight: 358.39689

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)[S+]2CCCC2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1O)C)[S+]2CCCC2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C12H16OS.CHF3O3S/c1-9-7-11(8-10(2)12(9)13)14-5-3-4-6-14;2-1(3,4)8(5,6)7/h7-8H,3-6H2,1-2H3;(H,5,6,7)