| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1cc(cc(c1OC)OC)C[n+]2cc3c(cc2)cc(cc3)OS(=O)(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C19H21N2O6S/c1-24-17-8-13(9-18(25-2)19(17)26-3)11-21-7-6-14-10-16(27-28(20,22)23)5-4-15(14)12-21/h4-10,12H,11H2,1-3H3,(H2,20,22,23)/q+1 |
| InChIKey | InChI | 1.03 | NINGXBBUHSHWQA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(C[n+]2ccc3cc(O[S](N)(=O)=O)ccc3c2)cc(OC)c1OC |
| SMILES | CACTVS | 3.385 | COc1cc(C[n+]2ccc3cc(O[S](N)(=O)=O)ccc3c2)cc(OC)c1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1cc(cc(c1OC)OC)C[n+]2ccc3cc(ccc3c2)OS(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1cc(cc(c1OC)OC)C[n+]2ccc3cc(ccc3c2)OS(=O)(=O)N |
