Base information
| Cat. No. | |
| CAS No. | 12269-88-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C48H39FeN15O21S3 |
| Molecular Weight | 1313.95 |
| Exact Mass | 1313.1 |
| XLogP3 | 5.2925 |
| Mr | 326.177 |
| PSA | 548.1 |
| Sequence | - |
| Atom number | 127 |
| Bond number | 132 |
| Ring number | 9 |
| Rotor number | 15 |
| Residues number | 0 |
| Canonical smiles | CC1=NN(C(=O)C1N/N=C/1\C=C(C=CC1=O)[N+](=O)[O-])c1ccc(cc1)S(=O)(=O)O.CC1=NN(C(=O)C1N/N=C/1\C=C(C=CC1=O)[N+](=O)[O-])c1ccc(cc1)S(=O)(=O)O.CC1=NN(C(=O)C1N/N=C/1\C=C(C=CC1=O)[N+](=O)[O-])c1ccc(cc1)S(=O)(=O)O.[Fe] |
