59113613 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 92 74 23 8 8 8 8 7 6 6 6 6 1 1 1 1 1 1 8 -1 1 2 3 4 4 5 5 6 7 8 8 9 9 9 10 10 10 5 8 4 11 17 12 18 11 12 9 16 10 11 13 12 14 15 6 6 6 1 1 1 1 2 2 1 1 1 1 1 1 1 1 9 8 10 11 13 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 2 4.5981 8.0622 7.1962 2.866 6.3301 3.732 5.4641 5.4641 4.5981 6.3301 3.732 6.001 4.9966 4.1996 6.001 7.1962 2.866 0 -1.5 0.5 0 0.5 1.5 -1 -1 0 0.5 0.5 0 -0.31 0.9749 0.9749 -1.31 -0.62 1.12 3 9 8 -1 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 147 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 3 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 0000037180623800000001000000004000002000000000000000000000000000000000000000001E00100800000828C180040008004002000800009008000000000000000000818000000200180000000040000610000000004300000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 1,2-dicarboxyethylazanide;tungsten;uranium;vanadium IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 1,2-dicarboxyethylazanide;tungsten;uranium;vanadium IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 1,2-dicarboxyethylazanide;tungsten;uranium;vanadium IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 [1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]azanide;tungsten;uranium;vanadium IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 1,2-dicarboxyethylazanide;tungsten;uranium;vanadium InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/C4H6NO4.U.V.W/c5-2(4(8)9)1-3(6)7;;;/h2,5H,1H2,(H,6,7)(H,8,9);;;/q-1;;; InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 BVOZWMSEODTZTJ-UHFFFAOYSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 604.975362 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 C4H6NO4UVW- Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 604.90515 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 C(C(C(=O)O)[NH-])C(=O)O.[V].[W].[U] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 C(C(C(=O)O)[NH-])C(=O)O.[V].[W].[U] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 75.6 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 604.975362 12 1 0 1 0 0 0 0 4 4