159684 1 2 3 4 5 6 7 8 9 10 11 58 16 16 8 8 8 8 8 8 8 8 1 4 4 -1 5 -1 6 -1 7 -1 2 2 2 2 3 3 3 3 4 5 8 9 6 7 10 11 1 1 2 2 1 1 2 2 1 5 255 1 2 3 4 5 6 7 8 9 10 11 4 3 5.5 4 3 5 4 2 3 6 6.366 0.134 -0.866 1 -0.866 0.134 0.134 1.134 -0.866 -1.866 1.866 0.5 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 8 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 0000037100003C006000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000300000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cerium(4+);disulfate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cerium(4+);disulfate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cerium(4+);disulfate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cerium(4+);disulfate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cerium(4+);disulfate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cerium(4+);disulfate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/Ce.2H2O4S/c;2*1-5(2,3)4/h;2*(H2,1,2,3,4)/q+4;;/p-4 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 VZDYWEUILIUIDF-UHFFFAOYSA-J Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 331.80891 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 CeO8S2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 332.25 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Ce+4] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Ce+4] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 177 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 331.80891 11 0 0 0 0 0 0 0 3 -1