24462 1 2 3 4 5 6 29 16 8 8 8 8 1 2 3 -1 4 -1 2 2 2 2 3 4 5 6 1 1 2 2 1 5 255 1 2 3 4 5 6 2 3 2 3 4 3 -1 0 0 -1 0 1 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 62.2 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 00000371000038004000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000300000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 copper;sulfate IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 copper;sulfate IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 copper;sulfate IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 copper;sulfate IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 cupric;sulfate InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/Cu.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 ARUVKPQLZAKDPS-UHFFFAOYSA-L Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 158.881327 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 CuO4S Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 159.6086 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 [O-]S(=O)(=O)[O-].[Cu+2] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 [O-]S(=O)(=O)[O-].[Cu+2] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 88.6 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 158.881327 6 0 0 0 0 0 0 0 2 1