OD5
Summary
| Name: | 4,4'-sulfonyldi(benzene-1,2-diol) |
| Formula: | C12 H10 O6 S |
| Formal charge: | 0 |
| Formula weight: | 282.269 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4,4'-sulfonyldi(benzene-1,2-diol) |
| OpenEye OEToolkits | 2.0.7 | 4-[3,4-bis(oxidanyl)phenyl]sulfonylbenzene-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc1ccc(cc1O)S(=O)(=O)c1cc(O)c(O)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C12H10O6S/c13-9-3-1-7(5-11(9)15)19(17,18)8-2-4-10(14)12(16)6-8/h1-6,13-16H |
| InChIKey | InChI | 1.03 | ASVQOVSTAOQGAT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1O)[S](=O)(=O)c2ccc(O)c(O)c2 |
| SMILES | CACTVS | 3.385 | Oc1ccc(cc1O)[S](=O)(=O)c2ccc(O)c(O)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1S(=O)(=O)c2ccc(c(c2)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1S(=O)(=O)c2ccc(c(c2)O)O)O)O |
