pentasodium 2-phosphonatobutane-1,2,4-tricarboxylate

Systemtic Name: pentasodium 2-phosphonatobutane-1,2,4-tricarboxylate Openeye Name: pentasodium 2-phosphonatobutane-1,2,4-tricarboxylate CAS Name: pentasodium 2-phosphonatobutane-1,2,4-tricarboxylate IUPAC Name: pentasodium 2-phosphonatobutane-1,2,4-tricarboxylate Traditional Name: pentasodium 2-phosphonatobutane-1,2,4-tricarboxylate Formula: C7H6Na5O9P MolecularWeight: 380.039751

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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+].[Na+].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C7H11O9P.5Na/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;5*+1/p-5