Base information
| Cat. No. | |
| CAS No. | 68921-42-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C37H39AlN2O9S3 |
| Molecular Weight | 778.89 |
| Exact Mass | 778.163 |
| XLogP3 | 9.292 |
| Mr | 198.037 |
| PSA | 197.33 |
| Sequence | - |
| Atom number | 91 |
| Bond number | 94 |
| Ring number | 5 |
| Rotor number | 12 |
| Residues number | 0 |
| Canonical smiles | CC/[N+](=C/1\C=CC(=C(c2ccccc2S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)/Cc1cccc(c1)S(=O)(=O)[O-].[AlH3] |
