10791 1 2 3 4 5 6 7 8 9 10 11 12 11 11 11 8 8 8 8 8 8 6 6 1 1 1 2 1 3 1 5 -1 7 -1 8 -1 4 4 5 6 7 8 9 10 12 10 10 11 11 11 1 1 1 2 1 1 2 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 3.2996 3.4641 0 0.7015 2.4335 1.5675 2.5981 0.866 1.732 1.5675 1.732 0.1645 1 4.5 4.5 1.5 1.5 0 5 5 3.5 1 4.5 1.19 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 43.5 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 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 00000371004038300000000000000000000000000000000000000000000000000000000000000002000008000000000000000008000002000800000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 trisodium;hydrogen carbonate;carbonate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 trisodium;hydrogen carbonate;carbonate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 trisodium;hydrogen carbonate;carbonate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 trisodium;hydrogen carbonate;carbonate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 trisodium;hydrogen carbonate;carbonate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 trisodium;bicarbonate;carbonate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/2CH2O3.3Na/c2*2-1(3)4;;;/h2*(H2,2,3,4);;;/q;;3*+1/p-3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WCTAGTRAWPDFQO-UHFFFAOYSA-K Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 189.94662059 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C2HNa3O6 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 189.99 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=O)(O)[O-].C(=O)([O-])[O-].[Na+].[Na+].[Na+] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=O)(O)[O-].C(=O)([O-])[O-].[Na+].[Na+].[Na+] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 124 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 189.94662059 11 0 0 0 0 0 0 0 5 -1