Obsolete: SPY
Summary
| Name: | pyridine-4-sulfonic acid |
| Formula: | C5 H5 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 159.163 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | pyridine-4-sulfonic acid |
| OpenEye OEToolkits | 1.7.0 | pyridine-4-sulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(O)c1ccncc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | O[S](=O)(=O)c1ccncc1 |
| SMILES | CACTVS | 3.370 | O[S](=O)(=O)c1ccncc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cnccc1S(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cnccc1S(=O)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H5NO3S/c7-10(8,9)5-1-3-6-4-2-5/h1-4H,(H,7,8,9) |
| InChIKey | InChI | 1.03 | PTWLOSARXIJRRJ-UHFFFAOYSA-N |
