26044 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 49 49 16 16 16 8 8 8 8 8 8 8 8 8 8 8 8 1 3 2 3 6 -1 7 -1 8 -1 9 -1 10 -1 11 -1 3 3 3 3 4 4 4 4 5 5 5 5 6 7 12 13 8 9 14 15 10 11 16 17 1 1 2 2 1 1 2 2 1 1 2 2 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 7.7262 4.3801 2.7071 8.7262 6.0532 3.4142 4.639 7.7262 8.7262 7.0191 5.0872 2 2 9.7262 8.7262 5.7944 6.312 0.026 -0.8706 -1.3189 1.026 -0.4223 -0.6118 -1.8365 1.026 0.026 -0.6811 -0.1635 -2.026 -0.6118 1.026 2.026 -1.3882 0.5436 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 62.2 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 12 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 0000037100003C006000000000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000300000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 indium(3+);trisulfate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 indium(3+);trisulfate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 indium(3+);trisulfate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 indium(3+);trisulfate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 indium(3+);trisulfate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 indium(3+);trisulfate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/2In.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XGCKLPDYTQRDTR-UHFFFAOYSA-H Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 517.6629465 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 In2O12S3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 517.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[In+3].[In+3] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[In+3].[In+3] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 266 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 517.6629465 17 0 0 0 0 0 0 0 5 -1