62655 1 2 3 4 5 6 7 8 9 10 11 12 16 16 11 11 8 8 8 8 8 8 8 8 3 1 4 1 7 -1 8 -1 1 1 1 1 2 2 2 2 5 6 7 9 12 5 8 10 11 6 1 1 2 2 1 1 2 2 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 3.732 6.3301 2 8.0622 5.4641 4.5981 2.866 7.1962 3.232 6.8301 5.8301 4.232 -0.25 0.25 -0.25 0.25 -0.25 0.25 -0.75 0.75 0.616 -0.616 1.116 -1.116 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 206 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 8 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 0000037100003C306000000000000000000000000000000000000000000000000000000000000000000004000000000000000000000000000000000000300000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 disodium;sulfonatooxy sulfate IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 disodium;sulfonatooxy sulfate IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 disodium;sulfonatooxy sulfate IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 disodium;sulfonatooxy sulfate IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 disodium;sulfato sulfate InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/2Na.H2O8S2/c;;1-9(2,3)7-8-10(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 CHQMHPLRPQMAMX-UHFFFAOYSA-L Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 237.882998 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 Na2O8S2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 238.104739 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 [O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 [O-]S(=O)(=O)OOS(=O)(=O)[O-].[Na+].[Na+] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 150 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 237.882998 12 0 0 0 0 0 0 0 3 1