Base information
| Cat. No. | |
| CAS No. | 115534-33-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C28H31NO3S |
| Molecular Weight | 461.616 |
| Exact Mass | 461.202 |
| XLogP3 | 7.146 |
| Mr | 138.893 |
| PSA | 65.58 |
| Sequence | - |
| Atom number | 64 |
| Bond number | 65 |
| Ring number | 3 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | C[N+](c1ccc(cc1)/C=C\C=C\C=C\c1ccccc1)(C)C.Cc1ccc(cc1)S(=O)(=O)[O-] |
