Molecule ID: 9008

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

Description: The molecule is the organic sodium salt of ethylenediaminetetraacetic acid (EDTA) in which three sodium cations are associated with one trianion of EDTA. It contains an EDTA(3-).

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

SELFIES: [O][=C][Branch1][C][O-1][C][N][Branch2][Ring1][C][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O-1].[Na+1].[Na+1].[Na+1]

InChI: InChI=1S/C10H16N2O8.3Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;3*+1/p-3

Molecular Properties:
- Polar Surface Area: 164.0 Ų
- LogP: nan