Base information
| Cat. No. | |
| CAS No. | 20262-76-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C27H31N2NaO7S2 |
| Molecular Weight | 582.664 |
| Exact Mass | 582.147 |
| XLogP3 | 5.6294 |
| Mr | 145.654 |
| PSA | 157.64 |
| Sequence | - |
| Atom number | 70 |
| Bond number | 71 |
| Ring number | 3 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | CC[N+](=C1C=C/C(=C(\c2cc(O)c(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/c2ccc(cc2)N(CC)CC)/C=C1)CC.[Na+] |
