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

Systemtic Name: butyl (1-phenylthiolan-1-ium-3-yl) carbonate; tris(fluoranyl)methanesulfonate Openeye Name: butyl (1-phenyltetrahydrothiophen-1-ium-3-yl) carbonate; trifluoromethanesulfonate CAS Name: carbonic acid butyl (1-phenyl-3-thiolan-1-iumyl) ester; trifluoromethanesulfonate IUPAC Name: butyl (1-phenylthiolan-1-ium-3-yl) carbonate; trifluoromethanesulfonate Traditional Name: carbonic acid butyl (1-phenyltetrahydrothiophen-1-ium-3-yl) ester triflate Formula: C16H21F3O6S2 MolecularWeight: 430.45955

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21O3S.CHF3O3S/c1-2-3-10-17-15(16)18-13-9-11-19(12-13)14-7-5-4-6-8-14;2-1(3,4)8(5,6)7/h4-8,13H,2-3,9-12H2,1H3;(H,5,6,7)/q+1;/p-1