VXC
Summary
| Name: | 4-bromanylbenzenesulfonic acid |
| Formula: | C6 H5 Br O3 S |
| Formal charge: | 0 |
| Formula weight: | 237.071 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-bromanylbenzenesulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H5BrO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10) |
| InChIKey | InChI | 1.06 | PXACTUVBBMDKRW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[S](=O)(=O)c1ccc(Br)cc1 |
| SMILES | CACTVS | 3.385 | O[S](=O)(=O)c1ccc(Br)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1S(=O)(=O)O)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1S(=O)(=O)O)Br |
