Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc2c(NC(=O)COc1ccccc1P(=O)(O)O)cccc2Cl |
InChI | InChI | 1.03 | InChI=1S/C14H12Cl2NO5P/c15-9-4-3-5-10(14(9)16)17-13(18)8-22-11-6-1-2-7-12(11)23(19,20)21/h1-7H,8H2,(H,17,18)(H2,19,20,21) |
InChIKey | InChI | 1.03 | JRORPYPDXOLPLV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | O[P](O)(=O)c1ccccc1OCC(=O)Nc2cccc(Cl)c2Cl |
SMILES | CACTVS | 3.370 | O[P](O)(=O)c1ccccc1OCC(=O)Nc2cccc(Cl)c2Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)OCC(=O)Nc2cccc(c2Cl)Cl)P(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)OCC(=O)Nc2cccc(c2Cl)Cl)P(=O)(O)O |