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 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 62.2 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 8 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 0 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 0000037100003C006040100000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000300000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 aluminum;potassium;disulfate IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 aluminum;potassium;disulfate IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 aluminum;potassium;disulfate IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 aluminum;potassium;disulfate IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 aluminum;potassium;disulfate InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 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 1.0.4 InChI iupac.org 2012.11.26 GRLPQNLYRHEGIJ-UHFFFAOYSA-J Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 257.848704 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 AlKO8S2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 258.205039 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[K+] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[K+] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 177 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 257.848704 12 0 0 0 0 0 0 0 4 1