A1D6M
Summary
| Name: | 1-[2,4-bis(oxidanyl)phenyl]-2-(4-methoxyphenyl)ethanone |
| Synonyms: | ONONETIN |
| Formula: | C15 H14 O4 |
| Formal charge: | 0 |
| Formula weight: | 258.269 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[2,4-bis(oxidanyl)phenyl]-2-(4-methoxyphenyl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H14O4/c1-19-12-5-2-10(3-6-12)8-14(17)13-7-4-11(16)9-15(13)18/h2-7,9,16,18H,8H2,1H3 |
| InChIKey | InChI | 1.06 | XHBZOAYMBBUURD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(CC(=O)c2ccc(O)cc2O)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(CC(=O)c2ccc(O)cc2O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)CC(=O)c2ccc(cc2O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)CC(=O)c2ccc(cc2O)O |
