Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | FC(F)(c1ccc(cc1)CC(N)C(=O)O)P(=O)(O)O |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1ccc(cc1)C(F)(F)[P](O)(O)=O)C(O)=O |
SMILES | CACTVS | 3.341 | N[CH](Cc1ccc(cc1)C(F)(F)[P](O)(O)=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C[C@@H](C(=O)O)N)C(F)(F)P(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CC(C(=O)O)N)C(F)(F)P(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C10H12F2NO5P/c11-10(12,19(16,17)18)7-3-1-6(2-4-7)5-8(13)9(14)15/h1-4,8H,5,13H2,(H,14,15)(H2,16,17,18)/t8-/m0/s1 |
InChIKey | InChI | 1.03 | HRDUMKHDIFUQGB-QMMMGPOBSA-N |