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 |