ethyl [8-(thiolan-1-ium-1-yl)naphthalen-2-yl] carbonate; tris(fluoranyl)methanesulfonate

Systemtic Name: ethyl [8-(thiolan-1-ium-1-yl)naphthalen-2-yl] carbonate; tris(fluoranyl)methanesulfonate Openeye Name: ethyl (8-tetrahydrothiophen-1-ium-1-yl-2-naphthyl) carbonate; trifluoromethanesulfonate CAS Name: carbonic acid ethyl [8-(1-thiolan-1-iumyl)-2-naphthalenyl] ester; trifluoromethanesulfonate IUPAC Name: ethyl [8-(thiolan-1-ium-1-yl)naphthalen-2-yl] carbonate; trifluoromethanesulfonate Traditional Name: carbonic acid ethyl (8-tetrahydrothiophen-1-ium-1-yl-2-naphthyl) ester triflate Formula: C18H19F3O6S2 MolecularWeight: 452.46507

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1=CC2=C(C=CC=C2[S+]3CCCC3)C=C1.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)OC1=CC2=C(C=CC=C2[S+]3CCCC3)C=C1.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C17H19O3S.CHF3O3S/c1-2-19-17(18)20-14-9-8-13-6-5-7-16(15(13)12-14)21-10-3-4-11-21;2-1(3,4)8(5,6)7/h5-9,12H,2-4,10-11H2,1H3;(H,5,6,7)/q+1;/p-1