Base information
| Cat. No. | |
| CAS No. | 39050-26-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C44H31N4NaO12S4 |
| Molecular Weight | 958.986 |
| Exact Mass | 958.072 |
| XLogP3 | 8.2887 |
| Mr | 244.017 |
| PSA | 307.3 |
| Sequence | - |
| Atom number | 96 |
| Bond number | 103 |
| Ring number | 9 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | OS(=O)(=O)c1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/C3=N/C(=C(\c4[nH]c1cc4)/c1ccc(cc1)S(=O)(=O)O)/C=C3)\c1ccc(cc1)S(=O)(=O)O)/[nH]2)/c1ccc(cc1)S(=O)(=O)O.[NaH] |
