D3M
Summary
| Name: | 3,6-dichloro-2-methoxybenzoic acid |
| Synonyms: | Dicamba |
| Formula: | C8 H6 Cl2 O3 |
| Formal charge: | 0 |
| Formula weight: | 221.037 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3,6-dichloro-2-methoxybenzoic acid |
| OpenEye OEToolkits | 1.5.0 | 3,6-dichloro-2-methoxy-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1ccc(Cl)c(c1OC)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1c(Cl)ccc(Cl)c1C(O)=O |
| SMILES | CACTVS | 3.341 | COc1c(Cl)ccc(Cl)c1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1c(ccc(c1C(=O)O)Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1c(ccc(c1C(=O)O)Cl)Cl |
| InChI | InChI | 1.03 | InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12) |
| InChIKey | InChI | 1.03 | IWEDIXLBFLAXBO-UHFFFAOYSA-N |
