Base information
| Cat. No. | |
| CAS No. | 101554-76-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H15N2NaO9S |
| Molecular Weight | 434.353 |
| Exact Mass | 434.04 |
| XLogP3 | 2.4316 |
| Mr | 97.8494 |
| PSA | 175.08 |
| Sequence | - |
| Atom number | 44 |
| Bond number | 44 |
| Ring number | 2 |
| Rotor number | 10 |
| Residues number | 0 |
| Canonical smiles | O=C(Oc1ccc(cc1[N+](=O)[O-])S(=O)(=O)[O-])CCCCCN1C(=O)C=CC1=O.[Na+] |
