(4-ethoxyphenyl)-diethyl-sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (4-ethoxyphenyl)-diethyl-sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: (4-ethoxyphenyl)-diethyl-sulfonium; trifluoromethanesulfonate CAS Name: (4-ethoxyphenyl)-diethylsulfonium; trifluoromethanesulfonate IUPAC Name: (4-ethoxyphenyl)-diethylsulfanium; trifluoromethanesulfonate Traditional Name: diethyl(p-phenetyl)sulfonium triflate Formula: C13H19F3O4S2 MolecularWeight: 360.41277

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)[S+](CC)CC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)[S+](CC)CC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C12H19OS.CHF3O3S/c1-4-13-11-7-9-12(10-8-11)14(5-2)6-3;2-1(3,4)8(5,6)7/h7-10H,4-6H2,1-3H3;(H,5,6,7)/q+1;/p-1