9020 1 2 3 4 5 6 7 8 9 10 11 12 13 14 11 11 8 8 8 8 6 6 6 6 1 1 1 1 1 1 2 1 3 -1 4 -1 3 4 5 6 7 7 7 7 8 8 8 9 10 9 10 8 9 11 12 10 13 14 1 1 2 2 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 2 8.0622 2.866 7.1962 3.732 6.3301 4.5981 5.4641 3.732 6.3301 4.9966 4.1996 5.0656 5.8626 -0.25 0.25 0.25 -0.25 -1.25 1.25 0.25 -0.25 -0.25 0.25 0.7249 0.7249 -0.7249 -0.7249 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 81.6 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 0000037180603830000000000000000000000000000000000000000000000000000000000000001A000000000008008080000008000000000800009008000000000000000000010000000000100000000000000400000000004300000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 disodium;butanedioate IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 disodium;butanedioate IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 disodium;butanedioate IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 disodium;butanedioate IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 disodium;succinate InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/C4H6O4.2Na/c5-3(6)1-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);;/q;2*+1/p-2 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 ZDQYSKICYIVCPN-UHFFFAOYSA-L Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 161.990497 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 C4H4Na2O4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 162.051699 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 C(CC(=O)[O-])C(=O)[O-].[Na+].[Na+] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 C(CC(=O)[O-])C(=O)[O-].[Na+].[Na+] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 80.3 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 161.990497 10 0 0 0 0 0 0 0 3 1