1-(2,4-dimethoxyphenyl)thiolan-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(2,4-dimethoxyphenyl)thiolan-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-(2,4-dimethoxyphenyl)tetrahydrothiophen-1-ium; trifluoromethanesulfonate CAS Name: 1-(2,4-dimethoxyphenyl)thiolan-1-ium; trifluoromethanesulfonate IUPAC Name: 1-(2,4-dimethoxyphenyl)thiolan-1-ium; trifluoromethanesulfonate Traditional Name: 1-(2,4-dimethoxyphenyl)tetrahydrothiophen-1-ium triflate Formula: C13H17F3O5S2 MolecularWeight: 374.39629

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)[S+]2CCCC2)OC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)[S+]2CCCC2)OC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C12H17O2S.CHF3O3S/c1-13-10-5-6-12(11(9-10)14-2)15-7-3-4-8-15;2-1(3,4)8(5,6)7/h5-6,9H,3-4,7-8H2,1-2H3;(H,5,6,7)/q+1;/p-1