043
Summary
| Name: | 4-(3-bromophenyl)-2,4-dioxobutanoic acid |
| Formula: | C10 H7 Br O4 |
| Formal charge: | 0 |
| Formula weight: | 271.064 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(3-bromophenyl)-2,4-dioxobutanoic acid |
| OpenEye OEToolkits | 1.7.2 | 4-(3-bromophenyl)-2,4-bis(oxidanylidene)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1cc(Br)ccc1)CC(=O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H7BrO4/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-4H,5H2,(H,14,15) |
| InChIKey | InChI | 1.03 | DLBFPLZJXXVHIG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)C(=O)CC(=O)c1cccc(Br)c1 |
| SMILES | CACTVS | 3.370 | OC(=O)C(=O)CC(=O)c1cccc(Br)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc(cc(c1)Br)C(=O)CC(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(cc(c1)Br)C(=O)CC(=O)C(=O)O |
