A1AEM
Summary
| Name: | 4-[fluoro(dihydroxy)-lambda~4~-sulfanyl]benzoic acid |
| Formula: | C7 H5 F O4 S |
| Formal charge: | 0 |
| Formula weight: | 204.176 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(fluorosulfonyl)benzoic acid |
| OpenEye OEToolkits | 2.0.7 | 4-fluorosulfonylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(F)(=O)c1ccc(cc1)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C7H5FO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10) |
| InChIKey | InChI | 1.06 | DJUJJHDCOUPERR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(cc1)[S](F)(=O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(cc1)[S](F)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)O)S(=O)(=O)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)O)S(=O)(=O)F |
