16213785 1 2 3 4 5 6 7 8 9 10 11 40 16 16 8 8 8 8 8 8 8 8 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 0 3.366 3.366 2.5 2.866 2.5 2.866 4.232 3.866 4.232 3.866 2.482 0.866 4.5981 0.366 1.732 4.0981 5.4641 1.366 0 5.0981 3.732 -4 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 62.2 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 8 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 0000037100003C006000000001000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000300000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 zirconium;disulfate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 zirconium;disulfate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 zirconium;disulfate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 zirconium;disulfate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 zirconium;disulfate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 zirconium;disulfate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/2H2O4S.Zr/c2*1-5(2,3)4;/h2*(H2,1,2,3,4);/p-4 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 UMMQYJBQFFIWJF-UHFFFAOYSA-J Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 281.808158 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 O8S2Zr-4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 283.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Zr] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Zr] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 177 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 281.808158 11 0 0 0 0 0 0 0 3 -1