Base information
| Cat. No. | |
| CAS No. | 110392-54-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C100H180O16Zr |
| Molecular Weight | 1729.71 |
| Exact Mass | 1727.23 |
| XLogP3 | 23.2444 |
| Mr | 492.474 |
| PSA | 234.36 |
| Sequence | - |
| Atom number | 297 |
| Bond number | 292 |
| Ring number | 0 |
| Rotor number | 80 |
| Residues number | 0 |
| Canonical smiles | CCCCCCCCCCCC(C(CC(C)(C)C)(OCC=C)OCC=C)C(=O)[O-].CCCCCCCCCCCC(C(CC(C)(C)C)(OCC=C)OCC=C)C(=O)[O-].CCCCCCCCCCCC(C(CC(C)(C)C)(OCC=C)OCC=C)C(=O)[O-].CCCCCCCCCCCC(C(CC(C)(C)C)(OCC=C)OCC=C)C(=O)[O-].[Zr+4] |
