Base information
| Cat. No. | |
| CAS No. | 58-71-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H15N2NaO6S2 |
| Molecular Weight | 418.42 |
| Exact Mass | 418.027 |
| XLogP3 | -0.4136 |
| Mr | 96.1782 |
| PSA | 169.38 |
| Sequence | - |
| Atom number | 42 |
| Bond number | 43 |
| Ring number | 3 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | CC(=O)OCC1=C(C(=O)[O-])N2[C@H](SC1)[C@@H](C2=O)NC(=O)Cc1cccs1.[Na+] |
