6125 1 2 3 4 5 6 7 8 11 11 8 8 8 8 6 6 1 1 2 1 3 -1 4 -1 3 4 5 6 7 7 8 7 8 8 1 1 2 2 1 1 5 255 1 2 3 4 5 6 7 8 2 6.3301 2.866 5.4641 3.732 4.5981 3.732 4.5981 -0.25 0.25 0.25 -0.25 -1.25 1.25 -0.25 0.25 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 60.5 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 0000037100403830000000000000000000000000000000000000000000000000000000000000000A000000000000000080000008000000000800009008020000000000000000004000000100000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 disodium;oxalate IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 disodium;oxalate IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 disodium;oxalate IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 disodium;ethanedioate IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 disodium;oxalate InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/C2H2O4.2Na/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;2*+1/p-2 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 ZNCPFRVNHGOPAG-UHFFFAOYSA-L Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 133.959197 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 C2Na2O4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 133.998539 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 C(=O)(C(=O)[O-])[O-].[Na+].[Na+] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 C(=O)(C(=O)[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 2012.11.26 133.959197 8 0 0 0 0 0 0 0 3 1