NTA
Summary
| Name: | NITRILOTRIACETIC ACID |
| Formula: | C6 H9 N O6 |
| Formal charge: | 0 |
| Formula weight: | 191.139 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2,2',2''-nitrilotriacetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-(bis(carboxymethyl)amino)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CN(CC(=O)O)CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CN(CC(O)=O)CC(O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)CN(CC(O)=O)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C(=O)O)N(CC(=O)O)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(=O)O)N(CC(=O)O)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13) |
| InChIKey | InChI | 1.03 | MGFYIUFZLHCRTH-UHFFFAOYSA-N |
