A1D65
Summary
| Name: | Napabucasin |
| Formula: | C14 H8 O4 |
| Formal charge: | 0 |
| Formula weight: | 240.211 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-ethanoylbenzo[f][1]benzofuran-4,9-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H8O4/c1-7(15)11-6-10-12(16)8-4-2-3-5-9(8)13(17)14(10)18-11/h2-6H,1H3 |
| InChIKey | InChI | 1.06 | DPHUWDIXHNQOSY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1oc2C(=O)c3ccccc3C(=O)c2c1 |
| SMILES | CACTVS | 3.385 | CC(=O)c1oc2C(=O)c3ccccc3C(=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)c1cc2c(o1)C(=O)c3ccccc3C2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)c1cc2c(o1)C(=O)c3ccccc3C2=O |
