Base information
| Cat. No. | |
| CAS No. | 1198398-71-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C38H28N2O12S |
| Molecular Weight | 736.7 |
| Exact Mass | 736.136 |
| XLogP3 | 5.3584 |
| Mr | 186.425 |
| PSA | 170.24 |
| Sequence | - |
| Atom number | 81 |
| Bond number | 90 |
| Ring number | 12 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | C1Oc2c(O1)cc1-c3cc4ccc5c(c4c[n+]3CCc1c2)OCO5.C1Oc2c(O1)cc1-c3cc4ccc5c(c4c[n+]3CCc1c2)OCO5.[O-]S(=O)(=O)[O-] |
