TSU
Summary
| Name: | PARA-TOLUENE SULFONATE |
| Formula: | C7 H8 O3 S |
| Formal charge: | 0 |
| Formula weight: | 172.202 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-methylbenzenesulfonic acid |
| OpenEye OEToolkits | 1.7.0 | 4-methylbenzenesulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(O)c1ccc(cc1)C |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1ccc(cc1)[S](O)(=O)=O |
| SMILES | CACTVS | 3.370 | Cc1ccc(cc1)[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1ccc(cc1)S(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1ccc(cc1)S(=O)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10) |
| InChIKey | InChI | 1.03 | JOXIMZWYDAKGHI-UHFFFAOYSA-N |
