Base information
| Cat. No. | |
| CAS No. | 67110-79-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H29ClO6S |
| Molecular Weight | 444.969 |
| Exact Mass | 444.137 |
| XLogP3 | 3.1244 |
| Mr | 115.502 |
| PSA | 132.52 |
| Sequence | - |
| Atom number | 58 |
| Bond number | 59 |
| Ring number | 2 |
| Rotor number | 12 |
| Residues number | 0 |
| Canonical smiles | O[C@H](COc1cccc(c1)Cl)CS[C@@H]1[C@@H](O)C[C@H]([C@H]1C/C=C\CCCC(=O)O)O |
