1-butyl-2-(4-methoxyphenyl)thiolan-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-butyl-2-(4-methoxyphenyl)thiolan-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-butyl-2-(4-methoxyphenyl)tetrahydrothiophen-1-ium; trifluoromethanesulfonate CAS Name: 1-butyl-2-(4-methoxyphenyl)thiolan-1-ium; trifluoromethanesulfonate IUPAC Name: 1-butyl-2-(4-methoxyphenyl)thiolan-1-ium; trifluoromethanesulfonate Traditional Name: 1-butyl-2-(4-methoxyphenyl)tetrahydrothiophen-1-ium triflate Formula: C16H23F3O4S2 MolecularWeight: 400.47663

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[S+]1CCCC1C2=CC=C(C=C2)OC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCC[S+]1CCCC1C2=CC=C(C=C2)OC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C15H23OS.CHF3O3S/c1-3-4-11-17-12-5-6-15(17)13-7-9-14(16-2)10-8-13;2-1(3,4)8(5,6)7/h7-10,15H,3-6,11-12H2,1-2H3;(H,5,6,7)/q+1;/p-1