YMR
Summary
| Name: | 2-methylcyclohexa-2,5-diene-1,4-dione |
| Formula: | C7 H6 O2 |
| Formal charge: | 0 |
| Formula weight: | 122.121 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-methylcyclohexa-2,5-diene-1,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H6O2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3 |
| InChIKey | InChI | 1.06 | VTWDKFNVVLAELH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=CC(=O)C=CC1=O |
| SMILES | CACTVS | 3.385 | CC1=CC(=O)C=CC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=CC(=O)C=CC1=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CC(=O)C=CC1=O |
