3000391 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 17 17 17 17 8 8 8 8 8 8 8 8 8 8 8 1 1 5 -1 6 -1 7 -1 8 -1 1 1 2 2 3 3 4 4 13 13 14 5 9 6 10 7 11 8 12 16 17 15 1 2 1 2 1 2 1 2 1 1 2 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 4.5981 4.5981 0.866 0.866 3.732 3.732 0 0 5.4641 5.4641 1.732 1.732 4.5981 0.366 1.366 5.135 4.0611 0 2.5 0 2.5 0.5 3 0.5 3 0.5 3 0.5 3 5 5 5 5.31 5.31 -4 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7.5 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 11 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 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 0000037100003C00070000000000000000000000000000000000000000000000000000000000000000000C000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 molecular oxygen;tetrachlorite;hydrate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 molecular oxygen;tetrachlorite;hydrate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 molecular oxygen;tetrachlorite;hydrate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 molecular oxygen;tetrachlorite;hydrate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 molecular oxygen;tetrachlorite;hydrate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 molecular oxygen;tetrachlorite;hydrate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/4ClHO2.O2.H2O/c4*2-1-3;1-2;/h4*(H,2,3);;1H2/p-4 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 VOWOEBADKMXUBU-UHFFFAOYSA-J Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 319.832172 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 Cl4H2O11-4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 319.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 O.[O-]Cl=O.[O-]Cl=O.[O-]Cl=O.[O-]Cl=O.O=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 O.[O-]Cl=O.[O-]Cl=O.[O-]Cl=O.[O-]Cl=O.O=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 196 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 317.835122 15 0 0 0 0 0 0 0 6 -1