Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc3ccc(NC(=O)c2cc1ccccc1cc2OP(=O)(O)O)cc3 |
SMILES_CANONICAL | CACTVS | 3.341 | O[P](O)(=O)Oc1cc2ccccc2cc1C(=O)Nc3ccc(Cl)cc3 |
SMILES | CACTVS | 3.341 | O[P](O)(=O)Oc1cc2ccccc2cc1C(=O)Nc3ccc(Cl)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2cc(c(cc2c1)C(=O)Nc3ccc(cc3)Cl)OP(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2cc(c(cc2c1)C(=O)Nc3ccc(cc3)Cl)OP(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C17H13ClNO5P/c18-13-5-7-14(8-6-13)19-17(20)15-9-11-3-1-2-4-12(11)10-16(15)24-25(21,22)23/h1-10H,(H,19,20)(H2,21,22,23) |
InChIKey | InChI | 1.03 | RQAQWBFHPMSXKR-UHFFFAOYSA-N |