A1JQW
Summary
| Name: | 3-bromanyl-1-benzothiophene 1,1-dioxide |
| Formula: | C8 H5 Br O2 S |
| Formal charge: | 0 |
| Formula weight: | 245.093 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-bromanyl-1-benzothiophene 1,1-dioxide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H5BrO2S/c9-7-5-12(10,11)8-4-2-1-3-6(7)8/h1-5H |
| InChIKey | InChI | 1.06 | BWCBGYFBSVPRLL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | BrC1=C[S](=O)(=O)c2ccccc12 |
| SMILES | CACTVS | 3.385 | BrC1=C[S](=O)(=O)c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=CS2(=O)=O)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=CS2(=O)=O)Br |
