16211641 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 27 11 11 11 8 8 8 8 8 8 8 8 8 8 8 8 7 7 7 7 7 7 2 1 3 1 4 1 5 -1 6 -1 7 -1 8 -1 9 -1 10 -1 1 1 1 1 1 1 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 17 18 19 20 21 22 17 18 19 20 21 22 6 6 6 6 6 6 1 1 1 1 1 1 2 2 2 2 2 2 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 4.4936 6.9872 2 3.55 6.0024 2.9848 4.1928 3.8508 5.1364 4.7944 6.2256 2.7615 2.866 5.3596 3.6276 6.1212 5.3596 3.6276 3.8508 4.4936 4.4936 5.1364 -0.3529 0.7395 -1.4454 2.1189 0.9132 -1.619 1.3529 -2.1189 1.4132 -2.0586 -0.3529 -0.3529 0.2396 -1.8529 1.1471 -0.9453 0.1471 -0.8529 0.4132 -1.3529 0.6471 -1.1189 -3 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 97.2 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 18 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 000003710003BC300000001000000000000000000000000000000000000000000000000000000000000400000000000000000000000040000100000001000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 trisodium;cobalt;hexanitrite IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 trisodium;cobalt;hexanitrite IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 trisodium;cobalt;hexanitrite IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 trisodium;cobalt;hexanitrite IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 trisodium;cobalt;hexanitrite IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 trisodium;cobalt;hexanitrite InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/Co.6HNO2.3Na/c;6*2-1-3;;;/h;6*(H,2,3);;;/q;;;;;;;3*+1/p-6 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 MUTOTFDDGIZNIK-UHFFFAOYSA-H Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 403.859921 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 CoN6Na3O12-3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 403.94 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 N(=O)[O-].N(=O)[O-].N(=O)[O-].N(=O)[O-].N(=O)[O-].N(=O)[O-].[Na+].[Na+].[Na+].[Co] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 N(=O)[O-].N(=O)[O-].N(=O)[O-].N(=O)[O-].N(=O)[O-].N(=O)[O-].[Na+].[Na+].[Na+].[Co] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 315 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 403.859921 22 0 0 0 0 0 0 0 10 -1