23031 1 2 3 4 5 6 81 81 8 8 8 6 1 1 2 1 3 -1 4 -1 3 4 5 6 6 6 1 1 2 1 5 255 1 2 3 4 5 6 5.4641 2 4.5981 2.866 3.732 3.732 0.25 0.25 0.75 0.75 -0.75 0.25 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 18.8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 3 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 00000371000030000000000000000000800000000000000000000000000000000000000000000002000000000000000000000008000000000800000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 thallium(1+);carbonate IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 thallium(1+);carbonate IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 thallium(1+);carbonate IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 thallium(1+);carbonate IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 thallium(1+);carbonate InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/CH2O3.2Tl/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 DASUJKKKKGHFBF-UHFFFAOYSA-L Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 469.933599 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 CO3Tl2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 468.7755 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 C(=O)([O-])[O-].[Tl+].[Tl+] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 C(=O)([O-])[O-].[Tl+].[Tl+] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 63.2 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 469.933599 6 0 0 0 0 0 0 0 3 1