QSH
Summary
| Name: | 3,5-bis(bromanyl)-4-oxidanyl-benzoic acid |
| Formula: | C7 H4 Br2 O3 |
| Formal charge: | 0 |
| Formula weight: | 295.913 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3,5-bis(bromanyl)-4-oxidanyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H4Br2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12) |
| InChIKey | InChI | 1.03 | PHWAJJWKNLWZGJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(Br)c(O)c(Br)c1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(Br)c(O)c(Br)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1Br)O)Br)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1Br)O)Br)C(=O)O |
