DBX
Summary
| Name: | 2,5-dihydroxybenzenesulfonic acid |
| Formula: | C6 H6 O5 S |
| Formal charge: | 0 |
| Formula weight: | 190.174 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | 2,5-dihydroxybenzenesulfonic acid |
| OpenEye OEToolkits | 1.6.1 | 2,5-dihydroxybenzenesulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=S(=O)(O)c1cc(O)ccc1O |
| SMILES_CANONICAL | CACTVS | 3.352 | Oc1ccc(O)c(c1)[S](O)(=O)=O |
| SMILES | CACTVS | 3.352 | Oc1ccc(O)c(c1)[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1O)S(=O)(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1O)S(=O)(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H6O5S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3,7-8H,(H,9,10,11) |
| InChIKey | InChI | 1.03 | IKQCSJBQLWJEPU-UHFFFAOYSA-N |
