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20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 80 80 80 81 81 81 82 82 82 83 83 83 84 84 84 85 85 85 86 86 86 87 87 87 88 88 88 89 89 89 90 90 90 91 91 91 92 92 92 93 93 93 94 94 94 95 95 95 96 96 96 97 97 97 43 44 68 72 45 46 68 73 47 48 69 74 49 50 69 75 51 52 70 76 53 54 70 77 55 56 71 78 57 58 71 79 59 80 81 60 82 83 61 84 85 62 86 87 63 88 89 64 90 91 65 92 93 66 94 95 67 96 97 72 72 72 73 73 73 74 74 74 75 75 75 76 76 76 77 77 77 78 78 78 79 79 79 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 3.7753 3.7753 5.2753 5.6262 5.2842 1.9696 2.7358 2.2753 3.7753 10.9987 19.5367 15.2677 15.2677 4.0664 4.0664 15.2677 15.2677 4.0664 3.0913 4.373 2.5672 5.6227 6.4338 4.4642 7.5958 6.7846 6.4373 6.5697 5.1609 6.693 0 0.3421 0.342 1.6223 0.8562 1.9696 1.2753 1.6326 3.2753 2.8356 3.6521 2.6673 4.5414 3.0093 6.2753 5.2753 5.9682 5.6262 4.6414 6.1502 1.2036 2.8356 2.2358 3.6017 1.3357 1.3357 4.2753 4.6414 11.8648 20.4027 16.1338 16.1338 4.9324 4.9324 16.1338 16.1338 4.9324 4.2753 4.6414 2.9093 3.2753 3.4334 5.4491 6.611 5.9269 0.9848 1.7959 2.2753 3.0093 10.1327 10.9987 18.6707 19.5367 14.4017 15.2677 14.4017 15.2677 3.2003 4.0664 3.2003 4.0664 14.4017 15.2677 14.4017 15.2677 3.2003 4.0664 10.4427 9.5958 9.8227 10.3787 10.9987 11.6187 18.9807 18.1338 18.3607 18.9167 19.5367 20.1567 14.7117 13.8648 14.0917 14.6477 15.2677 15.8877 14.7117 13.8648 14.0917 14.6477 15.2677 15.8877 3.5103 2.6634 2.8903 3.4464 4.0664 4.6864 3.5103 2.6634 2.8903 3.4464 4.0664 4.6864 14.7117 13.8648 14.0917 14.6477 15.2677 15.8877 14.7117 13.8648 14.0917 14.6477 15.2677 15.8877 3.5103 2.6634 2.8903 3.4464 4.0664 4.6864 3.6114 1.8794 2.7454 4.2851 4.8775 3.4535 2.1266 4.4775 5.3435 10.7625 10.7625 3.7771 8.434 10.5911 15.248 17.7479 13.0909 19.905 0 0.5977 0.4398 0.7758 1.9343 1.9344 4.6324 3.4739 5.4436 6.4096 6.2863 5.0008 3.8008 2.8612 4.3932 0.7998 1.4428 2.7695 5.4775 6.2435 5.4775 6.9711 6.7523 5.0466 1.2366 2.5222 2.7454 3.7454 3.3454 5.2851 5.6435 4.3775 2.8107 3.9535 1.2605 2.6266 4.8196 4.1354 6.2095 4.8435 11.2625 11.2625 4.2771 8.934 11.0911 15.748 18.2479 13.5909 20.405 2.7454 4.1114 3.1114 4.4775 0.9397 1.7606 4.4588 5.6435 3.6271 1.7848 5.4775 5.9863 11.2625 9.7625 11.2625 9.7625 4.2771 2.7771 8.934 7.434 11.0911 9.5911 15.748 14.248 18.2479 16.7479 13.5909 12.0909 20.405 18.905 11.7994 11.5725 10.7255 9.7625 9.1425 9.7625 11.7994 11.5725 10.7255 9.7625 9.1425 9.7625 4.814 4.5871 3.7401 2.7771 2.1571 2.7771 9.471 9.244 8.3971 7.434 6.814 7.434 11.628 11.4011 10.5542 9.5911 8.9711 9.5911 16.285 16.058 15.2111 14.248 13.628 14.248 18.7848 18.5579 17.7109 16.7479 16.1279 16.7479 14.1279 13.9009 13.054 12.0909 11.4709 12.0909 20.9419 20.715 19.868 18.905 18.285 18.905 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 403 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 62 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371F07BBFC078000000000080000000000000000000000000000000000000000000000000110400400000000000001082000000000A0000000000700000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 stannic;bis(trifluoromethylsulfonyl)azanide;methylsulfinylmethane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 bis(trifluoromethylsulfonyl)azanide;methylsulfinylmethane;tin(4+) IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 bis(trifluoromethylsulfonyl)azanide;methylsulfinylmethane;tin(4+) IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 bis(trifluoromethylsulfonyl)azanide;methylsulfinylmethane;tin(4+) IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 bis(trifluoromethylsulfonyl)azanide;methylsulfinylmethane;tin(4+) IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 stannic;ditriflylazanide;methylsulfinylmethane InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/4C2F6NO4S2.9C2H6OS.Sn/c4*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;9*1-4(2)3;/h;;;;9*1-2H3;/q4*-1;;;;;;;;;;+4 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 IZLRKDUSPVXDMP-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 1941.696802 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C26H54F24N4O25S17Sn Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 1942.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CS(=O)C.CS(=O)C.CS(=O)C.CS(=O)C.CS(=O)C.CS(=O)C.CS(=O)C.CS(=O)C.CS(=O)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.[Sn+4] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CS(=O)C.CS(=O)C.CS(=O)C.CS(=O)C.CS(=O)C.CS(=O)C.CS(=O)C.CS(=O)C.CS(=O)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.[Sn+4] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 671 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 1941.696802 97 0 0 0 0 0 0 0 14 -1