83720 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 28 16 16 8 8 8 8 8 8 7 7 1 1 1 1 1 2 4 -1 5 -1 2 2 2 2 3 3 3 3 10 10 11 11 4 6 7 10 5 8 9 11 12 13 14 15 1 2 2 1 1 2 2 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 5.135 3.403 6.8671 4.269 6.001 2.903 3.903 7.3671 6.3671 2.5369 7.7331 2 2.5369 8.27 7.7331 0.127 0.127 0.127 0.627 0.627 0.993 -0.739 0.993 -0.739 -0.373 -0.373 -0.063 -0.993 -0.063 -0.993 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 79.2 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 8 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 00000371800338006000000800000000000000000000000000000000000000000000000000000000001040000000000000000000000000000000000000300000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 nickelous;disulfamate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 nickel(2+);disulfamate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 nickel(2+);disulfamate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 nickel(2+);disulfamate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 nickel(2+);disulfamate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 nickelous;disulfamate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/2H3NO3S.Ni/c2*1-5(2,3)4;/h2*(H3,1,2,3,4);/q;;+2/p-2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 KERTUBUCQCSNJU-UHFFFAOYSA-L Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 249.886420 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 H4N2NiO6S2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 250.87 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 NS(=O)(=O)[O-].NS(=O)(=O)[O-].[Ni+2] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 NS(=O)(=O)[O-].NS(=O)(=O)[O-].[Ni+2] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 183 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 249.886420 11 0 0 0 0 0 0 0 3 -1