VWE
Summary
| Name: | 2-fluoranyl-5-sulfo-benzoic acid |
| Formula: | C7 H5 F O5 S |
| Formal charge: | 0 |
| Formula weight: | 220.175 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-fluoranyl-5-sulfo-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H5FO5S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3H,(H,9,10)(H,11,12,13) |
| InChIKey | InChI | 1.06 | DAYQUMDMVVFSIW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(ccc1F)[S](O)(=O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(ccc1F)[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1S(=O)(=O)O)C(=O)O)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1S(=O)(=O)O)C(=O)O)F |
