6914545 1 2 3 4 17 17 11 11 1 -1 2 -1 3 1 4 1 1 1 2 2 3 4 3 4 7 7 7 7 1 5 255 1 2 3 4 3 2 3 2 0.5 -0.5 -0.5 0.5 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 4 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 2 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 00000371000000300600000000000000000000004800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 disodium;dichloride IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 disodium;dichloride IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 disodium;dichloride IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 disodium;dichloride IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 disodium;dichloride InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/2ClH.2Na/h2*1H;;/q;;2*+1/p-2 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 OKBPCTLSPGDQBO-UHFFFAOYSA-L Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 115.917244 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 Cl2Na2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 116.885539 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 [Na+].[Na+].[Cl-].[Cl-] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 [Na+].[Na+].[Cl-].[Cl-] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 0 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 115.917244 4 0 0 0 0 0 0 0 4 1