Base information
| Cat. No. | |
| CAS No. | 3844-45-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C37H37N2NaO9S3 |
| Molecular Weight | 772.882 |
| Exact Mass | 772.156 |
| XLogP3 | 9.067 |
| Mr | 195.813 |
| PSA | 197.33 |
| Sequence | - |
| Atom number | 89 |
| Bond number | 92 |
| 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-].[NaH] |
