A1D8O
Summary
| Name: | (3~{Z})-3-[(3-ethoxy-4-methoxy-phenyl)methylidene]-6-oxidanyl-1-benzofuran-2-one |
| Formula: | C18 H16 O5 |
| Formal charge: | 0 |
| Formula weight: | 312.317 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{Z})-3-[(3-ethoxy-4-methoxy-phenyl)methylidene]-6-oxidanyl-1-benzofuran-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H16O5/c1-3-22-17-9-11(4-7-15(17)21-2)8-14-13-6-5-12(19)10-16(13)23-18(14)20/h4-10,19H,3H2,1-2H3/b14-8- |
| InChIKey | InChI | 1.06 | HEJMHLCXAFJBCY-ZSOIEALJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOc1cc(ccc1OC)\C=C2/C(=O)Oc3cc(O)ccc23 |
| SMILES | CACTVS | 3.385 | CCOc1cc(ccc1OC)C=C2C(=O)Oc3cc(O)ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOc1cc(ccc1OC)/C=C\2/c3ccc(cc3OC2=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1cc(ccc1OC)C=C2c3ccc(cc3OC2=O)O |
