1117 1 2 3 4 5 16 8 8 8 8 2 -1 3 -1 1 1 1 1 2 3 4 5 1 1 2 2 1 5 255 1 2 3 4 5 2.866 2 2.366 3.732 3.366 0 -0.5 0.866 0.5 -0.866 -2 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 62.2 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371000038004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000300000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sulfate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sulfate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sulfate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sulfate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sulfate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sulfate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 QAOWNCQODCNURD-UHFFFAOYSA-L Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -1.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 95.95172965 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 O4S-2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 96.07 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [O-]S(=O)(=O)[O-] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [O-]S(=O)(=O)[O-] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 88.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 95.95172965 5 0 0 0 0 0 0 0 1 -1