Base information
| Cat. No. | |
| CAS No. | 1193372-03-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C48H24O36Ti8 |
| Molecular Weight | 1559.62 |
| Exact Mass | 1559.59 |
| XLogP3 | -3.7008 |
| Mr | 227.094 |
| PSA | 582.18 |
| Sequence | - |
| Atom number | 116 |
| Bond number | 132 |
| Ring number | 17 |
| Rotor number | 12 |
| Residues number | 0 |
| Canonical smiles | [O-]C(=O)c1ccc(cc1)C1=[O][Ti+4]234[O-]C(=[O][Ti+4]5([O-2]3)([O-]4)[O]=C([O-][Ti+4]3([O-2]5)[O-2][Ti+4]4([O-]3)[O-]C(=[O][Ti+4]35([O-2][Ti+4]6([O-2][Ti+4]7([O-2][Ti+4]([O-]1)([O-2]2)[O-]7)[O-]C(=[O]6)c1ccc(cc1)C(=O)[O-])([O]=C([O-]5)c1ccc(cc1)C(=O)[O-])[O-]3)[O-2]4)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-] |
