3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl 4-chlorobenzene-1-sulfonate
Chemical Structure Depiction of
3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl 4-chlorobenzene-1-sulfonate
3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl 4-chlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | Y041-5348 |
| Compound Name: | 3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl 4-chlorobenzene-1-sulfonate |
| Molecular Weight: | 404.87 |
| Molecular Formula: | C20 H17 Cl O5 S |
| Smiles: | Cc1cc2c(C3CCCCC=3C(=O)O2)c(c1)OS(c1ccc(cc1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2592 |
| logD: | 5.2592 |
| logSw: | -5.9834 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.929 |
| InChI Key: | MDGKLIVWAYAASY-UHFFFAOYSA-N |