disodium; hydrogen phosphate; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: disodium; hydrogen phosphate; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: disodium; citric acid; hydrogen phosphate CAS Name: disodium; hydrogen phosphate; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: disodium; hydrogen phosphate; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: disodium; citric acid; hydrogen phosphate Formula: C12H17Na2O18P MolecularWeight: 526.205881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H8O7.2Na.H3O4P/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;1-5(2,3)4/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;(H3,1,2,3,4)/q;;2*+1;/p-2