70695642 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 19 19 17 17 16 15 15 12 11 11 11 8 8 8 8 8 8 8 8 8 8 8 8 1 1 1 1 1 2 1 3 -1 4 -1 8 2 9 1 10 1 11 1 14 -1 17 -1 18 -1 20 -1 21 -1 5 5 5 5 6 6 6 6 7 7 7 7 12 13 16 20 21 22 23 12 13 14 15 16 17 18 19 24 25 26 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 5.635 5.635 6.635 6.635 6.135 1.403 1.403 5.135 3.135 3.135 1.403 0.5369 0.903 2.269 1.903 0.5369 2.269 0.903 1.903 5.135 6.135 7.135 6.135 0 1.213 0 0 2.5 0 2.5 6 0.9325 5.2015 5 0.9325 5.2015 6.9335 0.4325 1.7985 1.4325 0.0665 4.7015 5.7015 6.0675 4.3355 6 5 6 7 0.7425 2.3355 5.0115 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 159 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 14 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 0000037100003C334660200000000000000000000000000000000000000000000000000000000000000008200000000000000000000000100040000000B00000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 magnesium;dipotassium;trisodium;dihydrogen phosphate;hydrogen phosphate;dichloride;sulfate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 magnesium;dipotassium;trisodium;dihydrogen phosphate;hydrogen phosphate;dichloride;sulfate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 magnesium;dipotassium;trisodium;dihydrogen phosphate;hydrogen phosphate;dichloride;sulfate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 magnesium;dipotassium;trisodium;dihydrogen phosphate;hydrogen phosphate;dichloride;sulfate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 magnesium;dipotassium;trisodium;dihydrogen phosphate;hydrogen phosphate;dichloride;sulfate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 magnesium;dipotassium;trisodium;dihydrogen phosphate;hydrogen phosphate;dichloride;sulfate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/2ClH.2K.Mg.3Na.2H3O4P.H2O4S/c;;;;;;;;3*1-5(2,3)4/h2*1H;;;;;;;2*(H3,1,2,3,4);(H2,1,2,3,4)/q;;2*+1;+2;3*+1;;;/p-7 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DWAYUNSAAKQFJZ-UHFFFAOYSA-G Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 529.7015136 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 Cl2H3K2MgNa3O12P2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 531.41 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 OP(=O)(O)[O-].OP(=O)([O-])[O-].[O-]S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Mg+2].[Cl-].[Cl-].[K+].[K+] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 OP(=O)(O)[O-].OP(=O)([O-])[O-].[O-]S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Mg+2].[Cl-].[Cl-].[K+].[K+] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 253 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 529.7015136 23 0 0 0 0 0 0 0 11 -1