4KN
Summary
| Name: | 2-(4-fluorophenoxy)-1-(2,3,4-trihydroxyphenyl)ethanone |
| Formula: | C14 H11 F O5 |
| Formal charge: | 0 |
| Formula weight: | 278.233 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(4-fluorophenoxy)-1-(2,3,4-trihydroxyphenyl)ethanone |
| OpenEye OEToolkits | 1.9.2 | 2-(4-fluoranylphenoxy)-1-[2,3,4-tris(oxidanyl)phenyl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(ccc(c1)F)OCC(c2ccc(O)c(O)c2O)=O |
| InChI | InChI | 1.03 | InChI=1S/C14H11FO5/c15-8-1-3-9(4-2-8)20-7-12(17)10-5-6-11(16)14(19)13(10)18/h1-6,16,18-19H,7H2 |
| InChIKey | InChI | 1.03 | USPMIJCAMCULDC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(c(O)c1O)C(=O)COc2ccc(F)cc2 |
| SMILES | CACTVS | 3.385 | Oc1ccc(c(O)c1O)C(=O)COc2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1OCC(=O)c2ccc(c(c2O)O)O)F |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1OCC(=O)c2ccc(c(c2O)O)O)F |
