methyl (1-phenylthiolan-1-ium-3-yl) carbonate; tris(fluoranyl)methanesulfonate

Systemtic Name: methyl (1-phenylthiolan-1-ium-3-yl) carbonate; tris(fluoranyl)methanesulfonate Openeye Name: methyl (1-phenyltetrahydrothiophen-1-ium-3-yl) carbonate; trifluoromethanesulfonate CAS Name: carbonic acid methyl (1-phenyl-3-thiolan-1-iumyl) ester; trifluoromethanesulfonate IUPAC Name: methyl (1-phenylthiolan-1-ium-3-yl) carbonate; trifluoromethanesulfonate Traditional Name: carbonic acid methyl (1-phenyltetrahydrothiophen-1-ium-3-yl) ester triflate Formula: C13H15F3O6S2 MolecularWeight: 388.37981

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)OC1CC[S+](C1)C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

COC(=O)OC1CC[S+](C1)C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C12H15O3S.CHF3O3S/c1-14-12(13)15-10-7-8-16(9-10)11-5-3-2-4-6-11;2-1(3,4)8(5,6)7/h2-6,10H,7-9H2,1H3;(H,5,6,7)/q+1;/p-1