26256 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 26 11 11 8 7 7 7 7 7 7 6 6 6 6 6 2 1 3 1 5 -1 11 -1 12 -1 13 -1 14 -1 15 -1 1 1 1 1 1 1 4 6 7 8 9 10 5 11 12 13 14 15 5 11 12 13 14 15 6 6 6 6 6 6 2 3 3 3 3 3 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 3.732 2 5.4641 2.866 2.866 4.5981 2 3.732 3.732 5.4641 4.5981 2.866 3.732 3.732 4.5981 0 -0 0 -1.5 -0.5 1.5 1 -2 2 -1 0.5 0.5 -1 1 -0.5 -4 Compound Canonicalized 5 2007.06.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 119 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 12 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 000003710063A0300000002000000000000000000000000000000000000000000000000000000004000400000000000000000000000000001100000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 disodium;iron;nitroxyl anion;pentacyanide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 disodium;iron;nitroxyl anion;pentacyanide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 disodium;iron;nitroxyl anion;pentacyanide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 disodium;iron;nitroxyl anion;pentacyanide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 disodium;iron;oxoazanide;pentacyanide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 disodium;iron;nitroxyl anion;pentacyanide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/5CN.Fe.NO.2Na/c5*1-2;;1-2;;/q5*-1;;-1;2*+1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BEHXAXWKTXYOGJ-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 261.927833 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C5FeN6Na2O-4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 261.92 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[N-]=O.[Na+].[Na+].[Fe] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[N-]=O.[Na+].[Na+].[Fe] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 137 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 261.927833 15 0 0 0 0 0 0 0 9 -1