159266 1 2 3 4 5 6 7 8 9 10 11 12 13 64 8 8 8 8 8 8 8 8 8 7 7 7 1 3 2 -1 3 -1 4 -1 5 -1 6 -1 7 -1 11 1 12 1 13 1 2 3 4 5 6 7 8 9 10 11 11 12 12 13 13 11 12 13 1 1 1 1 1 1 2 2 2 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 3.732 6.3301 4.5981 2 2.866 2.866 3.732 5.4641 3.732 2 5.4641 2.866 2.866 0.25 0.75 0.75 2.25 0.75 -2.25 -0.75 -0.75 2.25 -0.75 0.25 1.75 -1.25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 18.8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 9 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 0000037100033C000000000000000000002000000000000000000000000000000000000000000000000400000000000000000000000040000100000001000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 gadolinium(3+);trinitrate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 gadolinium(3+);trinitrate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 gadolinium(3+);trinitrate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 gadolinium(3+);trinitrate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 gadolinium(3+);trinitrate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 gadolinium(3+);trinitrate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/Gd.3NO3/c;3*2-1(3)4/q+3;3*-1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 MWFSXYMZCVAQCC-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 343.88756 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 GdN3O9 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 343.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Gd+3] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Gd+3] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 189 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 343.88756 13 0 0 0 0 0 0 0 4 1