F52
Summary
| Name: | 2-[2,4,5-tris(chloranyl)phenoxy]ethanoic acid |
| Formula: | C8 H5 Cl3 O3 |
| Formal charge: | 0 |
| Formula weight: | 255.482 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-[2,4,5-tris(chloranyl)phenoxy]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13) |
| InChIKey | InChI | 1.03 | SMYMJHWAQXWPDB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)COc1cc(Cl)c(Cl)cc1Cl |
| SMILES | CACTVS | 3.385 | OC(=O)COc1cc(Cl)c(Cl)cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c(c(cc(c1Cl)Cl)Cl)OCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1c(c(cc(c1Cl)Cl)Cl)OCC(=O)O |
