Base information
| Cat. No. | |
| CAS No. | 115853-74-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C29H26N2O10S |
| Molecular Weight | 594.589 |
| Exact Mass | 594.131 |
| XLogP3 | 3.986 |
| Mr | 153.865 |
| PSA | 168.67 |
| Sequence | - |
| Atom number | 68 |
| Bond number | 71 |
| Ring number | 5 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | O=C1CCC(=O)N1OC(=O)c1cc(C)c(c(c1)C)OC(=O)c1c2ccccc2[n+](c2c1cccc2)C.COS(=O)(=O)[O-] |
