9YR
Summary
| Name: | 2-(methoxycarbonyl)thiophene-3-sulfonic acid |
| Formula: | C6 H6 O5 S2 |
| Formal charge: | 0 |
| Formula weight: | 222.239 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(methoxycarbonyl)thiophene-3-sulfonic acid |
| OpenEye OEToolkits | 2.0.7 | 2-methoxycarbonylthiophene-3-sulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OS(=O)(=O)c1ccsc1C(=O)OC |
| InChI | InChI | 1.03 | InChI=1S/C6H6O5S2/c1-11-6(7)5-4(2-3-12-5)13(8,9)10/h2-3H,1H3,(H,8,9,10) |
| InChIKey | InChI | 1.03 | AYKJLZKNHNYZON-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1sccc1[S](O)(=O)=O |
| SMILES | CACTVS | 3.385 | COC(=O)c1sccc1[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)c1c(ccs1)S(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)c1c(ccs1)S(=O)(=O)O |
