YKK
Summary
| Name: | 2-methyl-5-oxidanyl-cyclohexa-2,5-diene-1,4-dione |
| Formula: | C7 H6 O3 |
| Formal charge: | 0 |
| Formula weight: | 138.121 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-methyl-5-oxidanyl-cyclohexa-2,5-diene-1,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H6O3/c1-4-2-6(9)7(10)3-5(4)8/h2-3,10H,1H3 |
| InChIKey | InChI | 1.06 | BMBZVGUSOUAIMK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=CC(=O)C(=CC1=O)O |
| SMILES | CACTVS | 3.385 | CC1=CC(=O)C(=CC1=O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=CC(=O)C(=CC1=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CC(=O)C(=CC1=O)O |
