1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octane-1-sulfonate; propan-2-yl [4-(thiolan-1-ium-1-yl)naphthalen-1-yl] carbonate

Systemtic Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octane-1-sulfonate; propan-2-yl [4-(thiolan-1-ium-1-yl)naphthalen-1-yl] carbonate Openeye Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate; isopropyl (4-tetrahydrothiophen-1-ium-1-yl-1-naphthyl) carbonate CAS Name: carbonic acid propan-2-yl [4-(1-thiolan-1-iumyl)-1-naphthalenyl] ester; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonate IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate; propan-2-yl [4-(thiolan-1-ium-1-yl)naphthalen-1-yl] carbonate Traditional Name: carbonic acid isopropyl (4-tetrahydrothiophen-1-ium-1-yl-1-naphthyl) ester; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate Formula: C26H21F17O6S2 MolecularWeight: 816.544194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21O3S.C8HF17O3S/c1-13(2)20-18(19)21-16-9-10-17(22-11-5-6-12-22)15-8-4-3-7-14(15)16;9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h3-4,7-10,13H,5-6,11-12H2,1-2H3;(H,26,27,28)/q+1;/p-1