3NJ
Summary
| Name: | 4-fluorooxepine-2,7-dione |
| Formula: | C6 H3 F O3 |
| Formal charge: | 0 |
| Formula weight: | 142.085 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-fluorooxepine-2,7-dione |
| OpenEye OEToolkits | 1.9.2 | 4-fluoranyloxepine-2,7-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC=1C=CC(=O)OC(=O)C=1 |
| InChI | InChI | 1.03 | InChI=1S/C6H3FO3/c7-4-1-2-5(8)10-6(9)3-4/h1-3H |
| InChIKey | InChI | 1.03 | MARYQJLDFKFFCO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC1=CC(=O)OC(=O)C=C1 |
| SMILES | CACTVS | 3.385 | FC1=CC(=O)OC(=O)C=C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C1=CC(=O)OC(=O)C=C1F |
| SMILES | OpenEye OEToolkits | 1.9.2 | C1=CC(=O)OC(=O)C=C1F |
