| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c3cc(c1cc([N+](=O)[O-])cc(C(O)=O)c1)c(OC2OC(CO)C(C(C2O)O)O)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C19H19NO10/c21-8-14-15(22)16(23)17(24)19(30-14)29-13-4-2-1-3-12(13)9-5-10(18(25)26)7-11(6-9)20(27)28/h1-7,14-17,19,21-24H,8H2,(H,25,26)/t14-,15+,16+,17-,19-/m1/s1 |
| InChIKey | InChI | 1.03 | GCARVRRYRBFOAI-DIKXUDHVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@@H](Oc2ccccc2c3cc(cc(c3)[N+]([O-])=O)C(O)=O)[C@H](O)[C@@H](O)[C@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH](Oc2ccccc2c3cc(cc(c3)[N+]([O-])=O)C(O)=O)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)c2cc(cc(c2)[N+](=O)[O-])C(=O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)c2cc(cc(c2)[N+](=O)[O-])C(=O)O)OC3C(C(C(C(O3)CO)O)O)O |
