24959 1 2 3 4 5 6 7 8 9 10 11 25 25 20 8 8 8 8 8 8 8 8 3 2 4 -1 5 -1 1 1 1 1 2 2 2 2 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 2.7071 6.0532 4.3801 3.4142 5.0872 2 2 3.4142 7.0191 6.312 5.7944 -0.5777 0.3189 -0.1294 0.1294 0.5777 -1.2848 0.1294 -1.2848 0.0601 1.2848 -0.647 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 0000037100003C000000084000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 calcium;dipermanganate IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 calcium;dipermanganate IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 calcium;dipermanganate IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 calcium;dipermanganate IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 calcium;dipermanganate InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/Ca.2Mn.8O/q+2;;;;;;;;;2*-1 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 HYSMCTNXSYZEHS-UHFFFAOYSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 277.797998 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 CaMn2O8 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 277.94929 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 [O-][Mn](=O)(=O)=O.[O-][Mn](=O)(=O)=O.[Ca+2] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 [O-][Mn](=O)(=O)=O.[O-][Mn](=O)(=O)=O.[Ca+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 2012.11.26 277.797998 11 0 0 0 0 0 0 0 3 1