4OS
Summary
| Name: | 4-methoxybenzenesulfonic acid |
| Formula: | C7 H8 O4 S |
| Formal charge: | 0 |
| Formula weight: | 188.201 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-methoxybenzenesulfonic acid |
| OpenEye OEToolkits | 1.7.2 | 4-methoxybenzenesulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(O)c1ccc(OC)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C7H8O4S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3,(H,8,9,10) |
| InChIKey | InChI | 1.03 | IWYVYUZADLIDEY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(cc1)[S](O)(=O)=O |
| SMILES | CACTVS | 3.370 | COc1ccc(cc1)[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | COc1ccc(cc1)S(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | COc1ccc(cc1)S(=O)(=O)O |
