XXG
Summary
| Name: | 3,3-dihydroxy-4-oxocyclohexa-1,5-diene-1-sulfonic acid |
| Synonyms: | 1,1-dihydroxy-2-keto-5-sulfonyl-cyclohexa-3,5-diene |
| Formula: | C6 H6 O6 S |
| Formal charge: | 0 |
| Formula weight: | 206.173 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3,3-dihydroxy-4-oxocyclohexa-1,5-diene-1-sulfonic acid |
| OpenEye OEToolkits | 1.5.0 | 3,3-dihydroxy-4-oxo-cyclohexa-1,5-diene-1-sulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(O)C1=CC(O)(O)C(=O)C=C1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC1(O)C=C(C=CC1=O)[S](O)(=O)=O |
| SMILES | CACTVS | 3.341 | OC1(O)C=C(C=CC1=O)[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=CC(=O)C(C=C1S(=O)(=O)O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1=CC(=O)C(C=C1S(=O)(=O)O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H6O6S/c7-5-2-1-4(13(10,11)12)3-6(5,8)9/h1-3,8-9H,(H,10,11,12) |
| InChIKey | InChI | 1.03 | JGCZOYLBGVHOFP-UHFFFAOYSA-N |
