A1D8N
Summary
| Name: | (3~{E})-3-[(3,4-dimethoxyphenyl)methylidene]-6-oxidanyl-1-benzofuran-2-one |
| Formula: | C17 H14 O5 |
| Formal charge: | 0 |
| Formula weight: | 298.29 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{E})-3-[(3,4-dimethoxyphenyl)methylidene]-6-oxidanyl-1-benzofuran-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H14O5/c1-20-14-6-3-10(8-16(14)21-2)7-13-12-5-4-11(18)9-15(12)22-17(13)19/h3-9,18H,1-2H3/b13-7+ |
| InChIKey | InChI | 1.06 | KVUMHWNFQMXDHG-NTUHNPAUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1OC)/C=C2/C(=O)Oc3cc(O)ccc23 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1OC)C=C2C(=O)Oc3cc(O)ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1OC)/C=C/2\c3ccc(cc3OC2=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1OC)C=C2c3ccc(cc3OC2=O)O |
