methyl [4-(thiolan-1-ium-1-yl)naphthalen-1-yl] carbonate; tris(fluoranyl)methanesulfonate

Systemtic Name: methyl [4-(thiolan-1-ium-1-yl)naphthalen-1-yl] carbonate; tris(fluoranyl)methanesulfonate Openeye Name: methyl (4-tetrahydrothiophen-1-ium-1-yl-1-naphthyl) carbonate; trifluoromethanesulfonate CAS Name: carbonic acid methyl [4-(1-thiolan-1-iumyl)-1-naphthalenyl] ester; trifluoromethanesulfonate IUPAC Name: methyl [4-(thiolan-1-ium-1-yl)naphthalen-1-yl] carbonate; trifluoromethanesulfonate Traditional Name: carbonic acid methyl (4-tetrahydrothiophen-1-ium-1-yl-1-naphthyl) ester triflate Formula: C17H17F3O6S2 MolecularWeight: 438.43849

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)OC1=CC=C(C2=CC=CC=C21)[S+]3CCCC3.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

COC(=O)OC1=CC=C(C2=CC=CC=C21)[S+]3CCCC3.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C16H17O3S.CHF3O3S/c1-18-16(17)19-14-8-9-15(20-10-4-5-11-20)13-7-3-2-6-12(13)14;2-1(3,4)8(5,6)7/h2-3,6-9H,4-5,10-11H2,1H3;(H,5,6,7)/q+1;/p-1