9SB
Summary
| Name: | 2-bromanylethanesulfonic acid |
| Formula: | C2 H5 Br O3 S |
| Formal charge: | 0 |
| Formula weight: | 189.028 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-bromanylethanesulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C2H5BrO3S/c3-1-2-7(4,5)6/h1-2H2,(H,4,5,6) |
| InChIKey | InChI | 1.03 | OQFSYHWITGFERZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[S](=O)(=O)CCBr |
| SMILES | CACTVS | 3.385 | O[S](=O)(=O)CCBr |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C(CBr)S(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(CBr)S(=O)(=O)O |
