trisodium 2-oxidanyl-1-phosphono-propane-1,2,3-tricarboxylate

Systemtic Name: trisodium 2-oxidanyl-1-phosphono-propane-1,2,3-tricarboxylate Openeye Name: trisodium 2-hydroxy-1-phosphono-propane-1,2,3-tricarboxylate CAS Name: trisodium 2-hydroxy-1-phosphonopropane-1,2,3-tricarboxylate IUPAC Name: trisodium 2-hydroxy-1-phosphonopropane-1,2,3-tricarboxylate Traditional Name: trisodium 2-hydroxy-1-phosphono-propane-1,2,3-tricarboxylate Formula: C6H6Na3O10P MolecularWeight: 338.048911

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H9O10P.3Na/c7-2(8)1-6(13,5(11)12)3(4(9)10)17(14,15)16;;;/h3,13H,1H2,(H,7,8)(H,9,10)(H,11,12)(H2,14,15,16);;;/q;3*+1/p-3