trisodium 2-oxidanylpropane-1,2,3-tricarboxylic acid borate

Systemtic Name: trisodium 2-oxidanylpropane-1,2,3-tricarboxylic acid borate Openeye Name: trisodium citric acid borate CAS Name: trisodium 2-hydroxypropane-1,2,3-tricarboxylic acid borate IUPAC Name: trisodium 2-hydroxypropane-1,2,3-tricarboxylic acid borate Traditional Name: trisodium citric acid borate Formula: C18H24BNa3O24 MolecularWeight: 704.14907

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Descriptors Computed from Structure

Canonical SMILES:

B([O-])([O-])[O-].C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[Na+].[Na+].[Na+]

Isomeric SMILES

B([O-])([O-])[O-].C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[Na+].[Na+].[Na+]

InChI

InChI=1S/3C6H8O7.BO3.3Na/c3*7-3(8)1-6(13,5(11)12)2-4(9)10;2-1(3)4;;;/h3*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;/q;;;-3;3*+1