GXD
Summary
| Name: | 4-(2,6-dichlorophenyl)-2,4-dioxobutanoic acid |
| Formula: | C10 H6 Cl2 O4 |
| Formal charge: | 0 |
| Formula weight: | 261.058 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(2,6-dichlorophenyl)-2,4-dioxobutanoic acid |
| OpenEye OEToolkits | 2.0.6 | 4-[2,6-bis(chloranyl)phenyl]-2,4-bis(oxidanylidene)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(cccc(Cl)c1C(CC(C(O)=O)=O)=O)Cl |
| InChI | InChI | 1.03 | InChI=1S/C10H6Cl2O4/c11-5-2-1-3-6(12)9(5)7(13)4-8(14)10(15)16/h1-3H,4H2,(H,15,16) |
| InChIKey | InChI | 1.03 | JNJNEAZUJSUZGZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C(=O)CC(=O)c1c(Cl)cccc1Cl |
| SMILES | CACTVS | 3.385 | OC(=O)C(=O)CC(=O)c1c(Cl)cccc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(c(c1)Cl)C(=O)CC(=O)C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(c(c1)Cl)C(=O)CC(=O)C(=O)O)Cl |
