24489 1 2 3 4 5 6 7 8 16 16 11 11 8 8 8 8 3 1 4 1 5 -1 6 -1 1 1 1 2 2 2 5 7 6 8 1 1 2 1 2 1 5 255 1 2 3 4 5 6 7 8 3.732 4.5981 2 6.3301 2.866 5.4641 3.732 4.5981 -0.25 0.25 -0.25 0.25 0.25 -0.25 -1.25 1.25 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 60.5 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 0 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371000038306000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/2Na.H2O4S2/c;;1-5(2)6(3)4/h;;(H,1,2)(H,3,4)/q2*+1;/p-2 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 JVBXVOWTABLYPX-UHFFFAOYSA-L Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 173.903339 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 Na2O4S2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 174.107139 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 [O-]S(=O)S(=O)[O-].[Na+].[Na+] SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 [O-]S(=O)S(=O)[O-].[Na+].[Na+] Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 119 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 173.903339 8 0 0 0 0 0 0 0 3 1