hexasodium 2-oxidanylpropane-1,2,3-tricarboxylate phosphate

Systemtic Name: hexasodium 2-oxidanylpropane-1,2,3-tricarboxylate phosphate Openeye Name: hexasodium citrate phosphate CAS Name: hexasodium 2-hydroxypropane-1,2,3-tricarboxylate phosphate IUPAC Name: hexasodium 2-hydroxypropane-1,2,3-tricarboxylate phosphate Traditional Name: hexasodium citrate phosphate Formula: C6H5Na6O11P MolecularWeight: 422.009681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O7.6Na.H3O4P/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;1-5(2,3)4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;;;;(H3,1,2,3,4)/q;6*+1;/p-6