Base information
| Cat. No. | |
| CAS No. | 56047-87-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C44H26N4O12S4Zn--- |
| Molecular Weight | 997.345 |
| Exact Mass | 994.98 |
| XLogP3 | 8.6631 |
| Mr | 244.019 |
| PSA | 334.74 |
| Sequence | - |
| Atom number | 92 |
| Bond number | 102 |
| Ring number | 12 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | [O-]S(=O)(=O)c1ccc(cc1)C1=C2C=CC3=C(c4ccc(cc4)S(=O)(=O)[O-])C4=N5[Zn+2]6([N-]23)N2=C1C=CC2=C(C1=CC=C([N-]61)C(=C5C=C4)c1ccc(cc1)S(=O)(=O)[O-])c1ccc(cc1)S(=O)(=O)[O-].[H+] |
