61623 1 2 3 4 5 6 7 8 9 10 11 56 17 17 8 8 8 8 8 8 8 8 1 2 4 -1 5 -1 2 2 2 2 3 3 3 3 4 6 7 8 5 9 10 11 1 2 2 2 1 2 2 2 1 5 255 1 2 3 4 5 6 7 8 9 10 11 4.5981 2.866 6.3301 3.732 5.4641 2 2.366 3.366 7.1962 6.8301 5.8301 0 0 0 0.5 0.5 -0.5 0.866 -0.866 -0.5 0.866 -0.866 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 95.8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 8 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 0 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 0000037100003C000600000000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 barium(2+);diperchlorate IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 barium(2+);diperchlorate IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 barium(2+);diperchlorate IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 barium(2+);diperchlorate IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 barium(2+);diperchlorate InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/Ba.2ClHO4/c;2*2-1(3,4)5/h;2*(H,2,3,4,5)/q+2;;/p-2 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 OOULUYZFLXDWDQ-UHFFFAOYSA-L Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 335.80227 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 BaCl2O8 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 336.2282 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 [O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Ba+2] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 [O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Ba+2] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 149 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 335.80227 11 0 0 0 0 0 0 0 3 1