trisodium 3-carboxy-6-oxidanyl-6-oxidanylidene-3-phosphonato-hexanoate

Systemtic Name: trisodium 3-carboxy-6-oxidanyl-6-oxidanylidene-3-phosphonato-hexanoate Openeye Name: trisodium 3-carboxy-6-hydroxy-6-oxo-3-phosphonato-hexanoate CAS Name: trisodium 3-carboxy-6-hydroxy-6-oxo-3-phosphonatohexanoate IUPAC Name: trisodium 3-carboxy-6-hydroxy-6-oxo-3-phosphonatohexanoate Traditional Name: trisodium 3-carboxy-6-hydroxy-6-keto-3-phosphonato-hexanoate Formula: C7H8Na3O9P MolecularWeight: 336.076091

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H11O9P.3Na/c8-4(9)1-2-7(6(12)13,3-5(10)11)17(14,15)16;;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13)(H2,14,15,16);;;/q;3*+1/p-3