trisodium 1-methylpentane-1,2,4-tricarboxylate

Systemtic Name: trisodium 1-methylpentane-1,2,4-tricarboxylate Openeye Name: trisodium 1-methylpentane-1,2,4-tricarboxylate CAS Name: trisodium 1-methylpentane-1,2,4-tricarboxylate IUPAC Name: trisodium 1-methylpentane-1,2,4-tricarboxylate Traditional Name: trisodium 1-methylpentane-1,2,4-tricarboxylate Formula: C9H11Na3O6 MolecularWeight: 284.14935

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14O6.3Na/c1-4(7(10)11)3-6(9(14)15)5(2)8(12)13;;;/h4-6H,3H2,1-2H3,(H,10,11)(H,12,13)(H,14,15);;;/q;3*+1/p-3