23683747 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 19 16 8 8 8 8 7 6 6 6 6 1 1 1 1 1 1 4 -1 1 2 2 2 2 3 4 7 8 8 9 9 11 11 11 4 3 5 6 7 8 10 10 9 11 10 12 13 14 15 7 1 2 2 1 1 1 2 2 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 2 3.732 4.5981 2 3.232 4.232 2.866 4.5981 3.732 2.866 5.4641 3.732 5.7741 6.001 5.1541 1.933 -1.067 -0.567 0.933 -1.933 -1.933 -0.567 0.433 0.933 0.433 0.933 1.553 0.3961 1.243 1.47 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 299 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 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 0000037180623800404000000000000000000000000000000000200000000000000000000000001E00004000000804818000020000000000A000206200300000000020000008001000100004000001000010000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;6-methyl-2,2-dioxo-oxathiazin-4-olate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;6-methyl-2,2-dioxo-4-oxathiazinolate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;6-methyl-2,2-dioxooxathiazin-4-olate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;6-methyl-2,2-dioxooxathiazin-4-olate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;6-methyl-2,2-bis(oxidanylidene)-1,2,3-oxathiazin-4-olate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;2,2-diketo-6-methyl-oxathiazin-4-olate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C4H5NO4S.K/c1-3-2-4(6)5-10(7,8)9-3;/h2H,1H3,(H,5,6);/q;+1/p-1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WBZFUFAFFUEMEI-UHFFFAOYSA-M Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 200.94981027 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C4H4KNO4S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 201.24 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC(=NS(=O)(=O)O1)[O-].[K+] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC(=NS(=O)(=O)O1)[O-].[K+] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 87.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 200.94981027 11 0 0 0 0 0 0 0 2 1