6398973 1 2 3 4 5 16 11 8 8 8 2 1 3 -1 4 -1 1 1 1 2 3 4 5 3 1 1 2 6 1 5 255 1 2 3 4 5 2.866 4.5981 3.732 2 2.866 0.25 0.25 0.75 0.75 -0.75 -1 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 28.4 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 00000371000030204000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 sodium;sulfite IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 sodium;sulfite IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 sodium;sulfite IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 sodium;sulfite IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 sodium;sulfite InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-2 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 DWAQJAXMDSEUJJ-UHFFFAOYSA-L Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 102.946584 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 NaO3S- Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 103.052969 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 [O-]S(=O)[O-].[Na+] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 [O-]S(=O)[O-].[Na+] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 82.4 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 102.946584 5 0 0 0 0 0 0 0 2 1