2,2'-{(2-oxocyclohexane-1,3-diylidene)bis[methanylylidene(2-chloro-6-ethoxy-4,1-phenylene)oxy]}diacetic acid
Chemical Structure Depiction of
2,2'-{(2-oxocyclohexane-1,3-diylidene)bis[methanylylidene(2-chloro-6-ethoxy-4,1-phenylene)oxy]}diacetic acid
2,2'-{(2-oxocyclohexane-1,3-diylidene)bis[methanylylidene(2-chloro-6-ethoxy-4,1-phenylene)oxy]}diacetic acid
Compound characteristics
| Compound ID: | Y508-7208 |
| Compound Name: | 2,2'-{(2-oxocyclohexane-1,3-diylidene)bis[methanylylidene(2-chloro-6-ethoxy-4,1-phenylene)oxy]}diacetic acid |
| Molecular Weight: | 579.43 |
| Molecular Formula: | C28 H28 Cl2 O9 |
| Smiles: | CCOc1cc(/C=C2/CCC/C(=C\c3cc(c(c(c3)[Cl])OCC(O)=O)OCC)C2=O)cc(c1OCC(O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.7763 |
| logD: | 1.5393 |
| logSw: | -5.5712 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.567 |
| InChI Key: | ZKQGVGIMRFHRDE-UHFFFAOYSA-N |