25000034 1 2 3 4 5 26 8 8 8 8 1 6 2 -2 3 -2 4 -2 5 -2 1 5 255 1 2 3 4 5 2.866 3.732 2 2.366 3.366 0 0.5 -0.5 0.866 -0.866 -2 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 00000371000038000000002000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 iron(6+);oxygen(2-) IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 iron(6+);oxygen(2-) IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 iron(6+);oxygen(2-) IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 iron(6+);oxygen(2-) IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 iron(6+);oxygen(2-) IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 iron(6+);oxygen(2-) InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/Fe.4O/q+6;4*-2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 RDEIUUIBGSCVEJ-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 119.914594 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 FeO4-2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 119.84 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 [O-2].[O-2].[O-2].[O-2].[Fe+6] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 [O-2].[O-2].[O-2].[O-2].[Fe+6] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 119.914594 5 0 0 0 0 0 0 0 5 -1