| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | FC(Oc1ccc(cc1)CC(C(=O)O)N)(C(=O)O)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1ccc(OC(F)(C(O)=O)C(O)=O)cc1)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](Cc1ccc(OC(F)(C(O)=O)C(O)=O)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C[C@@H](C(=O)O)N)OC(C(=O)O)(C(=O)O)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CC(C(=O)O)N)OC(C(=O)O)(C(=O)O)F |
| InChI | InChI | 1.03 | InChI=1S/C12H12FNO7/c13-12(10(17)18,11(19)20)21-7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)(H,17,18)(H,19,20)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | AXIAXCQZCZMCQW-QMMMGPOBSA-N |
