Molecule ID: 21152

IUPAC Name: trisodium;2-[bis(carboxylatomethyl)amino]acetate

Description: The molecule is an organic sodium salt composed of sodium and nitrilotriacetate ions in a 3:1 ratio. It has a role as a carcinogenic agent and a nephrotoxic agent. It contains a nitrilotriacetate(3-).

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

SELFIES: [O][=C][Branch1][C][O-1][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][C][=Branch1][C][=O][O-1].[Na+1].[Na+1].[Na+1]

InChI: InChI=1S/C6H9NO6.3Na/c8-4(9)1-7(2-5(10)11)3-6(12)13;;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);;;/q;3*+1/p-3

Molecular Properties:
- Polar Surface Area: 124.0 Ų
- LogP: nan