Base information
| Cat. No. | |
| CAS No. | 3270-25-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H13N2NaO12S3 |
| Molecular Weight | 544.465 |
| Exact Mass | 543.953 |
| XLogP3 | 5.467 |
| Mr | 111.323 |
| PSA | 273.66 |
| Sequence | - |
| Atom number | 47 |
| Bond number | 48 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | Oc1ccc(cc1/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[NaH] |
