24856 1 2 3 4 5 6 7 8 9 10 11 12 19 16 16 13 8 8 8 8 8 8 8 8 1 1 4 3 5 -1 6 -1 7 -1 8 -1 2 2 2 2 3 3 3 3 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 8.0622 6.3301 2.866 4.5981 7.1962 5.4641 3.732 2 6.8301 5.8301 2.366 3.366 -0 -0 0 0 -0.5 0.5 0.5 -0.5 0.866 -0.866 0.866 -0.866 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 0000037100003C006040100000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000300000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 aluminum;potassium;disulfate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 aluminum;potassium;disulfate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 aluminum;potassium;disulfate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 aluminum;potassium;disulfate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 aluminum;potassium;disulfate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 aluminum;potassium;disulfate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/Al.K.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 GRLPQNLYRHEGIJ-UHFFFAOYSA-J Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 257.8487042 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 AlKO8S2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 258.21 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[K+] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[K+] 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 2021.10.14 257.8487042 12 0 0 0 0 0 0 0 4 -1