Base information
| Cat. No. | |
| CAS No. | 28631-66-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C32H25N3Na2O9S3 |
| Molecular Weight | 737.73 |
| Exact Mass | 737.055 |
| XLogP3 | 8.9729 |
| Mr | 175.511 |
| PSA | 244.32 |
| Sequence | - |
| Atom number | 74 |
| Bond number | 76 |
| Ring number | 5 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | Cc1cc(cc(c1N)S(=O)(=O)[O-])/C(=C/1\C=C/C(=N/c2ccc(cc2)S(=O)(=O)[O-])/C=C1)/c1ccc(cc1)Nc1ccc(cc1)S(=O)(=O)O.[Na+].[Na+] |
