種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | FC(F)(F)c1ccccc1NC(=O)COc2ccccc2P(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C15H13F3NO5P/c16-15(17,18)10-5-1-2-6-11(10)19-14(20)9-24-12-7-3-4-8-13(12)25(21,22)23/h1-8H,9H2,(H,19,20)(H2,21,22,23) |
InChIKey | InChI | 1.03 | GAFDGQORYPFURN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | O[P](O)(=O)c1ccccc1OCC(=O)Nc2ccccc2C(F)(F)F |
SMILES | CACTVS | 3.370 | O[P](O)(=O)c1ccccc1OCC(=O)Nc2ccccc2C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(c(c1)C(F)(F)F)NC(=O)COc2ccccc2P(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(c(c1)C(F)(F)F)NC(=O)COc2ccccc2P(=O)(O)O |