| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COC1OC(CO)C(O)C(OC(=O)c2ccc(C)cc2)C1OC(=O)c1cccc(c1)[N+]([O-])=O |
| InChI | InChI | 1.03 | InChI=1S/C22H23NO10/c1-12-6-8-13(9-7-12)20(26)32-18-17(25)16(11-24)31-22(30-2)19(18)33-21(27)14-4-3-5-15(10-14)23(28)29/h3-10,16-19,22,24-25H,11H2,1-2H3/t16-,17+,18+,19+,22-/m1/s1 |
| InChIKey | InChI | 1.03 | CHZMAUNHQDXHJQ-NOYKIMNZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c3cccc(c3)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | CO[CH]1O[CH](CO)[CH](O)[CH](OC(=O)c2ccc(C)cc2)[CH]1OC(=O)c3cccc(c3)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)C(=O)O[C@H]2[C@H]([C@H](O[C@H]([C@H]2OC(=O)c3cccc(c3)[N+](=O)[O-])OC)CO)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)C(=O)OC2C(C(OC(C2OC(=O)c3cccc(c3)[N+](=O)[O-])OC)CO)O |
