24939 1 2 3 4 5 6 7 8 9 10 11 12 16 16 13 11 8 8 8 8 8 8 8 8 3 3 4 1 5 -1 6 -1 7 -1 8 -1 1 1 1 1 2 2 2 2 5 6 9 10 7 8 11 12 1 1 2 2 1 1 2 2 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 6.3461 3.673 5.3461 2 5.3461 6.3461 4.639 2.7071 7.3461 6.3461 3.4142 3.9318 0.7071 -0.7412 -0.2929 -1.1895 0.7071 -0.2929 -1 -0.4824 0.7071 1.7071 -1.7071 0.2247 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 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 0000037100003C206000100000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000300000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 aluminum;sodium;disulfate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 aluminum;sodium;disulfate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 aluminum;sodium;disulfate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 aluminum;sodium;disulfate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 aluminum;sodium;disulfate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 aluminum;sodium;disulfate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/Al.Na.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q+3;+1;;/p-4 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 GJPYYNMJTJNYTO-UHFFFAOYSA-J Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 241.8747670 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 AlNaO8S2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 242.10 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Na+].[Al+3] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Na+].[Al+3] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 177 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 241.8747670 12 0 0 0 0 0 0 0 4 -1