60149544 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 16 9 9 9 9 9 9 9 9 9 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11 -1 15 1 1 1 1 1 2 3 4 5 6 7 8 9 10 14 14 14 15 15 15 16 16 16 16 17 17 17 18 18 18 19 19 19 20 20 21 21 21 22 22 22 23 24 24 25 25 25 26 26 27 29 30 30 30 11 12 13 28 26 26 28 28 29 29 31 31 31 20 23 24 23 27 30 17 18 32 33 19 34 35 20 36 37 21 38 39 40 41 22 42 43 25 44 45 46 27 47 48 49 50 28 29 51 31 52 53 54 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 11.9205 9.6885 10.6885 10.5545 11.5545 8.8225 9.8225 7.5904 7.9564 8.9564 12.7866 12.4205 11.4205 4.001 4.501 3.135 2.269 3.135 2.269 4.001 1.403 1.403 4.8101 3.192 0.5369 10.1885 3.501 11.0545 9.3225 5.0888 8.4564 3.3471 3.7456 2.0569 1.6584 2.923 2.5244 2.481 2.8796 4.2131 4.6116 1.1909 0.7924 1.615 2.0135 5.3997 2.6024 0.2269 0 0.8469 3.1366 5.5904 5.4532 4.5872 5.6932 5.5592 3.8272 6.0592 4.3272 5.0592 3.3272 3.1932 4.5592 2.8272 6.1932 4.8272 6.5592 6.5369 8.0758 4.0369 3.5369 5.0369 2.5369 5.5369 2.0369 1.0369 7.1247 7.1247 0.5369 4.6932 8.0758 5.1932 4.1932 8.8848 3.6932 3.4543 4.1446 4.1195 3.4293 5.6195 4.9293 1.9543 2.6446 4.9543 5.6446 2.6195 1.9293 0.4543 1.1446 6.9331 6.9331 1.0739 0.2269 0 8.5774 8.5204 9.3864 9.2492 8 8 8 8 8 14 14 15 15 24 23 24 23 27 27 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 510 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 12 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 9 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B31C0400000000000000000000000000160000000000000000000000000018000001D04000000000800C142142F90170C1002A0001027647040802D1112A00940001830008048020088001400000800028000211080800000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-methyl-3-octyl-imidazol-1-ium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-methyl-3-octylimidazol-1-ium;1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-methyl-3-octylimidazol-1-ium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-methyl-3-octylimidazol-1-ium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-methyl-3-octyl-imidazol-1-ium;1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-methyl-3-octyl-imidazol-1-ium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C12H23N2.C4HF9O3S/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h10-12H,3-9H2,1-2H3;(H,14,15,16)/q+1;/p-1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 UOYPBMPPFOQUMO-UHFFFAOYSA-M Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 494.12856723 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H23F9N2O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 494.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCCCN1C=C[N+](=C1)C.C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(C(F)(F)F)(F)F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCCCN1C=C[N+](=C1)C.C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(C(F)(F)F)(F)F Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 74.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 494.12856723 31 0 0 0 0 0 0 0 2 -1