57449119 1 2 3 4 5 6 7 8 56 46 16 8 8 8 8 8 4 -1 5 -1 1 3 2 3 3 3 3 8 4 5 6 7 2 1 1 2 2 1 5 255 1 2 3 4 5 6 7 8 0 2.866 3.366 2.5 2.866 4.232 3.866 3.866 1.866 0 3.366 2.866 4.232 3.866 2.5 0 -2 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 64.2 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 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 00000371000038004000000000080400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000300000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/Ba.H2O4S.O.Pd/c;1-5(2,3)4;;/h;(H2,1,2,3,4);;/p-2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 IKCWYTBWIAHVOZ-UHFFFAOYSA-L Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 355.75537 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 BaO5PdS-2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.08.13 355.81 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 [O-]S(=O)(=O)[O-].O=[Pd].[Ba] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 [O-]S(=O)(=O)[O-].O=[Pd].[Ba] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 106 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 355.75537 8 0 0 0 0 0 0 0 3 -1