VWT
Summary
| Name: | 4-cyanobenzenesulfonic acid |
| Formula: | C7 H5 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 183.184 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-cyanobenzenesulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H5NO3S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,(H,9,10,11) |
| InChIKey | InChI | 1.06 | SLBRSTXWIBNAOM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[S](=O)(=O)c1ccc(cc1)C#N |
| SMILES | CACTVS | 3.385 | O[S](=O)(=O)c1ccc(cc1)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C#N)S(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C#N)S(=O)(=O)O |
