種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Clc2ccc(cc2NC(=O)COc1ccccc1P(=O)(O)O)C(F)(F)F |
InChI | InChI | 1.03 | InChI=1S/C15H12ClF3NO5P/c16-10-6-5-9(15(17,18)19)7-11(10)20-14(21)8-25-12-3-1-2-4-13(12)26(22,23)24/h1-7H,8H2,(H,20,21)(H2,22,23,24) |
InChIKey | InChI | 1.03 | JQGAEOCOPMLHLZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | O[P](O)(=O)c1ccccc1OCC(=O)Nc2cc(ccc2Cl)C(F)(F)F |
SMILES | CACTVS | 3.370 | O[P](O)(=O)c1ccccc1OCC(=O)Nc2cc(ccc2Cl)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)OCC(=O)Nc2cc(ccc2Cl)C(F)(F)F)P(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)OCC(=O)Nc2cc(ccc2Cl)C(F)(F)F)P(=O)(O)O |