Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C1=Cc2c(OC1C(F)(F)F)c(Cl)c(OCC(C)C)c(Cl)c2 |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)COc1c(Cl)cc2C=C([C@@H](Oc2c1Cl)C(F)(F)F)C(O)=O |
SMILES | CACTVS | 3.370 | CC(C)COc1c(Cl)cc2C=C([CH](Oc2c1Cl)C(F)(F)F)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)COc1c(cc2c(c1Cl)O[C@H](C(=C2)C(=O)O)C(F)(F)F)Cl |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)COc1c(cc2c(c1Cl)OC(C(=C2)C(=O)O)C(F)(F)F)Cl |
InChI | InChI | 1.03 | InChI=1S/C15H13Cl2F3O4/c1-6(2)5-23-12-9(16)4-7-3-8(14(21)22)13(15(18,19)20)24-11(7)10(12)17/h3-4,6,13H,5H2,1-2H3,(H,21,22)/t13-/m1/s1 |
InChIKey | InChI | 1.03 | FQKMILFVTQADHR-CYBMUJFWSA-N |