| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,18H,2-4H2,1H3 |
| InChIKey | InChI | 1.03 | PILIZHLSOWYJPQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)c1ccc([C](O)=[C]2C(=O)C[CH2]CC2=O)c(c1)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)c1ccc([C](O)=[C]2C(=O)C[CH2]CC2=O)c(c1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C(=C2C(=O)CCCC2=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C(=C2C(=O)CCCC2=O)O |
