| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | COc1cc(ccc1Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)CO |
| InChI | InChI | 1.06 | InChI=1S/C14H12N2O7/c1-22-14-6-9(8-17)2-4-13(14)23-12-5-3-10(15(18)19)7-11(12)16(20)21/h2-7,17H,8H2,1H3 |
| InChIKey | InChI | 1.06 | ZZPOHWJBICSULQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(CO)ccc1Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | COc1cc(CO)ccc1Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COc1cc(ccc1Oc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])CO |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COc1cc(ccc1Oc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])CO |
