QZI
Summary
| Name: | 2-methyl-2-(pentachlorophenoxy)propanoic acid |
| Formula: | C10 H7 Cl5 O3 |
| Formal charge: | 0 |
| Formula weight: | 352.426 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-methyl-2-(pentachlorophenoxy)propanoic acid |
| OpenEye OEToolkits | 2.0.7 | 2-methyl-2-[2,3,4,5,6-pentakis(chloranyl)phenoxy]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1c(OC(C)(C)C(=O)O)c(Cl)c(Cl)c(Cl)c1Cl |
| InChI | InChI | 1.06 | InChI=1S/C10H7Cl5O3/c1-10(2,9(16)17)18-8-6(14)4(12)3(11)5(13)7(8)15/h1-2H3,(H,16,17) |
| InChIKey | InChI | 1.06 | DZRRTVYFYXFKCY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)(Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C(=O)O)Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C(=O)O)Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl |
