80W
Summary
| Name: | 6-methyl-7-methylidene-3-oxidanyl-cyclohepta-2,5-diene-1,4-dione |
| Formula: | C9 H8 O3 |
| Formal charge: | 0 |
| Formula weight: | 164.158 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-methyl-7-methylidene-3-oxidanyl-cyclohepta-2,5-diene-1,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H8O3/c1-5-3-8(11)9(12)4-7(10)6(5)2/h3-4,12H,2H2,1H3 |
| InChIKey | InChI | 1.03 | BTZWUNVWCWSING-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=CC(=O)C(=CC(=O)C1=C)O |
| SMILES | CACTVS | 3.385 | CC1=CC(=O)C(=CC(=O)C1=C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=CC(=O)C(=CC(=O)C1=C)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CC(=O)C(=CC(=O)C1=C)O |
