EAA
Summary
| Name: | ETHACRYNIC ACID |
| Formula: | C13 H12 Cl2 O4 |
| Formal charge: | 0 |
| Formula weight: | 303.138 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1c(C(=O)\C(=C)CC)ccc(OCC(=O)O)c1Cl |
| SMILES_CANONICAL | CACTVS | 3.341 | CCC(=C)C(=O)c1ccc(OCC(O)=O)c(Cl)c1Cl |
| SMILES | CACTVS | 3.341 | CCC(=C)C(=O)c1ccc(OCC(O)=O)c(Cl)c1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17) |
| InChIKey | InChI | 1.03 | AVOLMBLBETYQHX-UHFFFAOYSA-N |
