Base information
| Cat. No. | |
| CAS No. | 1166843-68-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C42H12Cl12O14 |
| Molecular Weight | 1165.97 |
| Exact Mass | 1159.65 |
| XLogP3 | 14.5688 |
| Mr | 251.526 |
| PSA | 226.58 |
| Sequence | - |
| Atom number | 80 |
| Bond number | 88 |
| Ring number | 10 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OC(=O)c1cc(Cl)c2c(c1Cl)C1(OC2=O)c2cc(Cl)c(c(c2Oc2c1cc(Cl)c(c2Cl)O)Cl)O.Clc1cc(C(=O)O)c(c2c1C1(OC2=O)c2cc(Cl)c(c(c2Oc2c1cc(Cl)c(c2Cl)O)Cl)O)Cl |
