1-(4-butoxy-3,5-dimethyl-phenyl)thiolan-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(4-butoxy-3,5-dimethyl-phenyl)thiolan-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-(4-butoxy-3,5-dimethyl-phenyl)tetrahydrothiophen-1-ium; trifluoromethanesulfonate CAS Name: 1-(4-butoxy-3,5-dimethylphenyl)thiolan-1-ium; trifluoromethanesulfonate IUPAC Name: 1-(4-butoxy-3,5-dimethylphenyl)thiolan-1-ium; trifluoromethanesulfonate Traditional Name: 1-(4-butoxy-3,5-dimethyl-phenyl)tetrahydrothiophen-1-ium triflate Formula: C17H25F3O4S2 MolecularWeight: 414.50321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1C)[S+]2CCCC2)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCOC1=C(C=C(C=C1C)[S+]2CCCC2)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C16H25OS.CHF3O3S/c1-4-5-8-17-16-13(2)11-15(12-14(16)3)18-9-6-7-10-18;2-1(3,4)8(5,6)7/h11-12H,4-10H2,1-3H3;(H,5,6,7)/q+1;/p-1