Base information
| Cat. No. | |
| CAS No. | 19381-50-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C30H18FeN3NaO15S3-- |
| Molecular Weight | 835.505 |
| Exact Mass | 834.915 |
| XLogP3 | 2.0105 |
| Mr | 187.89 |
| PSA | 388.68 |
| Sequence | - |
| Atom number | 71 |
| Bond number | 78 |
| Ring number | 9 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | [O-]N1=c2c(=[O][Fe+3]341([O]=c1c(=N4[O-])c4ccc(cc4cc1)S(=O)(=O)[O-])[O]=c1c(=N3[O-])c3ccc(cc3cc1)S(=O)(=O)[O-])ccc1c2ccc(c1)S(=O)(=O)[O-].[Na+] |
