(4-butoxyphenyl)-dimethyl-sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (4-butoxyphenyl)-dimethyl-sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: (4-butoxyphenyl)-dimethyl-sulfonium; trifluoromethanesulfonate CAS Name: (4-butoxyphenyl)-dimethylsulfonium; trifluoromethanesulfonate IUPAC Name: (4-butoxyphenyl)-dimethylsulfanium; trifluoromethanesulfonate Traditional Name: (4-butoxyphenyl)-dimethyl-sulfonium triflate Formula: C13H19F3O4S2 MolecularWeight: 360.41277

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)[S+](C)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[S+](C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C12H19OS.CHF3O3S/c1-4-5-10-13-11-6-8-12(9-7-11)14(2)3;2-1(3,4)8(5,6)7/h6-9H,4-5,10H2,1-3H3;(H,5,6,7)/q+1;/p-1