Base information
| Cat. No. | |
| CAS No. | 592542-60-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H24NNaO8S |
| Molecular Weight | 473.472 |
| Exact Mass | 473.112 |
| XLogP3 | 2.6223 |
| Mr | 114.701 |
| PSA | 131.6 |
| Sequence | - |
| Atom number | 56 |
| Bond number | 56 |
| Ring number | 2 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | COc1cc(OC)cc(c1/C=C/S(=O)(=O)Cc1ccc(c(c1)NCC(=O)[O-])OC)OC.[Na+] |
