Base information
| Cat. No. | |
| CAS No. | 12768-78-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C31H33N2NaO6S2 |
| Molecular Weight | 616.723 |
| Exact Mass | 616.168 |
| XLogP3 | 7.077 |
| Mr | 161.137 |
| PSA | 137.41 |
| Sequence | - |
| Atom number | 75 |
| Bond number | 77 |
| Ring number | 4 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | CC[N+](=C1C=C/C(=C(\c2cc(cc3c2ccc(c3)S(=O)(=O)[O-])S(=O)(=O)[O-])/c2ccc(cc2)N(CC)CC)/C=C1)CC.[Na+] |
