A1EV9
Summary
| Name: | 4-[2,4-bis(chloranyl)phenoxy]butanoic acid |
| Formula: | C10 H10 Cl2 O3 |
| Formal charge: | 0 |
| Formula weight: | 249.091 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[2,4-bis(chloranyl)phenoxy]butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14) |
| InChIKey | InChI | 1.06 | YIVXMZJTEQBPQO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCCOc1ccc(Cl)cc1Cl |
| SMILES | CACTVS | 3.385 | OC(=O)CCCOc1ccc(Cl)cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Cl)Cl)OCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Cl)Cl)OCCCC(=O)O |
