HVP
Summary
| Name: | 2-(fluorosulfonyl)benzene-1-sulfonic acid |
| Formula: | C6 H5 F O5 S2 |
| Formal charge: | 0 |
| Formula weight: | 240.229 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(fluorosulfonyl)benzene-1-sulfonic acid |
| OpenEye OEToolkits | 2.0.6 | 2-fluorosulfonylbenzenesulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(S(F)(=O)=O)c(S(=O)(O)=O)cccc1 |
| InChI | InChI | 1.03 | InChI=1S/C6H5FO5S2/c7-13(8,9)5-3-1-2-4-6(5)14(10,11)12/h1-4H,(H,10,11,12) |
| InChIKey | InChI | 1.03 | AFQCDYWSMCQAJJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[S](=O)(=O)c1ccccc1[S](F)(=O)=O |
| SMILES | CACTVS | 3.385 | O[S](=O)(=O)c1ccccc1[S](F)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)S(=O)(=O)O)S(=O)(=O)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)S(=O)(=O)O)S(=O)(=O)F |
