24863 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 26 16 16 8 8 8 8 8 8 8 8 7 7 1 1 1 1 1 1 1 1 1 2 4 -1 5 -1 6 -1 7 -1 12 1 13 1 2 2 2 2 3 3 3 3 12 12 12 12 13 13 13 13 4 5 8 9 6 7 10 11 14 15 16 17 18 19 20 21 1 1 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 2.5981 0.866 4.3301 1.732 0 3.4641 5.1962 0.366 1.366 4.8301 3.8301 2.5981 2.5981 3.135 2.0611 2.2881 2.9081 3.135 2.0611 2.2881 2.9081 0.866 0.866 0.866 1.366 0.366 1.366 0.366 1.732 0 1.732 0 4.269 7.3429 4.579 3.959 4.8059 3.732 7.6529 7.0329 7.8798 6.8059 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 62.2 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 00000371C0033C006000002000000000000000000000000000000000000000000000000000000000001000000000000000000000000000000000000000300000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diammonium;ferrous;disulfate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diammonium;iron(2+);disulfate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diazanium;iron(2+);disulfate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diazanium;iron(2+);disulfate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diazanium;iron(2+);disulfate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diammonium;ferrous;disulfate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/Fe.2H3N.2H2O4S/c;;;2*1-5(2,3)4/h;2*1H3;2*(H2,1,2,3,4)/q+2;;;;/p-2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 IMBKASBLAKCLEM-UHFFFAOYSA-L Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 283.907143 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 FeH8N2O8S2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 284.1 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [NH4+].[NH4+].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Fe+2] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [NH4+].[NH4+].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Fe+2] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 179 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 283.907143 13 0 0 0 0 0 0 0 5 -1