| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)CC(O)(O)CC(C(=O)O)Cc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)[C@H](Cc1ccccc1)CC(O)(O)C[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | OC(=O)[CH](Cc1ccccc1)CC(O)(O)C[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C[C@H](CC(C[N+](=O)[O-])(O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC(CC(C[N+](=O)[O-])(O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H15NO6/c14-11(15)10(6-9-4-2-1-3-5-9)7-12(16,17)8-13(18)19/h1-5,10,16-17H,6-8H2,(H,14,15)/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | CGGNZMVODZPHHK-SNVBAGLBSA-N |
