| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCC1CCCC1=O)c1cc(cc(c1)S(F)(=O)=O)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C14H14FNO6S/c15-23(21,22)11-5-9(4-10(6-11)14(19)20)13(18)16-7-8-2-1-3-12(8)17/h4-6,8H,1-3,7H2,(H,16,18)(H,19,20)/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | OHQBNPMKJCBHLK-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(cc(c1)[S](F)(=O)=O)C(=O)NC[C@@H]2CCCC2=O |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(cc(c1)[S](F)(=O)=O)C(=O)NC[CH]2CCCC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc(cc1C(=O)O)S(=O)(=O)F)C(=O)NC[C@@H]2CCCC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(cc1C(=O)O)S(=O)(=O)F)C(=O)NCC2CCCC2=O |
