4SX
Summary
| Name: | 3,4-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 | 12.01 | 3,4-dihydroxybenzenesulfonic acid |
| OpenEye OEToolkits | 1.9.2 | 3,4-bis(oxidanyl)benzenesulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(c1cc(c(cc1)O)O)(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C6H6O5S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3,7-8H,(H,9,10,11) |
| InChIKey | InChI | 1.03 | LTPDITOEDOAWRU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1O)[S](O)(=O)=O |
| SMILES | CACTVS | 3.385 | Oc1ccc(cc1O)[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1S(=O)(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1S(=O)(=O)O)O)O |
