24436 1 2 3 4 5 6 7 16 11 11 8 8 8 8 2 1 3 1 4 -1 5 -1 1 1 1 1 4 5 6 7 1 1 2 2 1 5 255 1 2 3 4 5 6 7 3.732 5.4641 2 4.5981 2.866 3.232 4.232 0 0 0 0.5 -0.5 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 4 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 00000371000038304000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000300000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 disodium;sulfate IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 disodium;sulfate IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 disodium;sulfate IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 disodium;sulfate IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 disodium;sulfate InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/2Na.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 PMZURENOXWZQFD-UHFFFAOYSA-L Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 141.931268 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 Na2O4S Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 142.042139 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 [O-]S(=O)(=O)[O-].[Na+].[Na+] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 [O-]S(=O)(=O)[O-].[Na+].[Na+] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 88.6 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 141.931268 7 0 0 0 0 0 0 0 3 1