2734571 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 21 16 16 16 9 9 9 9 9 9 9 9 9 8 8 8 8 8 8 8 8 8 6 6 6 1 3 14 -1 15 -1 16 -1 2 2 2 2 3 3 3 3 4 4 4 4 5 6 7 8 9 10 11 12 13 14 17 18 23 15 19 20 24 16 21 22 25 23 23 23 24 24 24 25 25 25 1 2 2 1 1 2 2 1 1 2 2 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 4.866 6.5981 4 4 8.3301 6.9641 7.9641 2.268 3.634 2.634 2 3 3 5.732 4.866 4 6.0981 7.0981 4.5 3.5 4 5 7.4641 3.134 3 -0.183 -0.183 1.317 -1.683 0.817 1.183 -0.549 2.317 2.683 0.951 -1.683 -2.683 -0.683 -0.683 0.817 -0.683 0.683 -1.049 2.183 0.451 -2.683 -1.683 0.317 1.817 -1.683 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 145 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 18 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0000037100403DC06000040000000000000000000000000000000000000000000000000000000001040000000000000000100000000000020000000000700000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 scandium(3+);trifluoromethanesulfonate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 scandium(3+);trifluoromethanesulfonate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 scandium(3+);trifluoromethanesulfonate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 scandium(3+);trifluoromethanesulfonate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 scandium(3+);tris(fluoranyl)methanesulfonate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 scandium(3+);tritriflate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/3CHF3O3S.Sc/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HZXJVDYQRYYYOR-UHFFFAOYSA-K Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 491.811981 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C3F9O9S3Sc Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 492.2 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Sc+3] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Sc+3] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 197 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 491.811981 25 0 0 0 0 0 0 0 4 1