heptasodium; 2-oxidanylpropane-1,2,3-tricarboxylate; phosphonato phosphate

Systemtic Name: heptasodium; 2-oxidanylpropane-1,2,3-tricarboxylate; phosphonato phosphate Openeye Name: heptasodium phosphonato phosphate citrate CAS Name: heptasodium; 2-hydroxypropane-1,2,3-tricarboxylate; phosphonato phosphate IUPAC Name: heptasodium; 2-hydroxypropane-1,2,3-tricarboxylate; phosphonato phosphate Traditional Name: heptasodium phosphonato phosphate citrate Formula: C6H5Na7O14P2 MolecularWeight: 523.971412

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O7.7Na.H4O7P2/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;;1-8(2,3)7-9(4,5)6/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;;;;;(H2,1,2,3)(H2,4,5,6)/q;7*+1;/p-7