62681 1 2 3 4 5 6 7 8 9 10 11 19 19 16 16 8 8 8 8 8 8 8 1 1 2 1 6 -1 7 -1 3 3 3 3 4 4 4 4 5 6 8 9 5 7 10 11 1 1 2 2 1 1 2 2 1 5 255 1 2 3 4 5 6 7 8 9 10 11 2 7.1962 3.732 5.4641 4.5981 2.866 6.3301 3.232 4.232 5.9641 4.9641 0 0 0 0 0.5 -0.5 -0.5 0.866 -0.866 0.866 -0.866 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 194 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 7 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 00000371000038006060000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000300000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 dipotassium;sulfonato sulfate IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 dipotassium;sulfonato sulfate IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 dipotassium;sulfonato sulfate IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 dipotassium;sulfonato sulfate IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 dipotassium;sulfonato sulfate InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/2K.H2O7S2/c;;1-8(2,3)7-9(4,5)6/h;;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 KAQHZJVQFBJKCK-UHFFFAOYSA-L Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 253.835958 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 K2O7S2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 254.3224 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 [O-]S(=O)(=O)OS(=O)(=O)[O-].[K+].[K+] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 [O-]S(=O)(=O)OS(=O)(=O)[O-].[K+].[K+] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 140 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 253.835958 11 0 0 0 0 0 0 0 3 1