2754594 1 2 3 4 5 6 7 8 16 8 8 8 8 8 1 1 1 1 1 1 2 3 6 2 3 4 5 6 7 8 1 1 2 2 1 1 1 1 5 255 1 2 3 4 5 6 7 8 3.403 4.269 2.5369 2.903 3.903 5.135 2 5.672 0 0.5 -0.5 0.866 -0.866 0 -0.19 0.31 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 100 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 0000037100003800400000000000000000000000000000000000000000000000000000000000000000000C000000000000000000000000800000000000300000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 hydroxy hydrogen sulfate IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 sulfuric acid hydroxy ester IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 hydroxy hydrogen sulfate IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 oxidanyl hydrogen sulfate IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 sulfuric acid hydroxy ester InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/H2O5S/c1-5-6(2,3)4/h1H,(H,2,3,4) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 FHHJDRFHHWUPDG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -1.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 113.962294 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 H2O5S Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 114.07788 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 OOS(=O)(=O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 OOS(=O)(=O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 92.2 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 113.962294 6 0 0 0 0 0 0 0 1 1