Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C18H16F4O2/c1-3-13(17(23)24)11-6-7-14(15(8-11)18(20,21)22)12-5-4-10(2)16(19)9-12/h4-9,13H,3H2,1-2H3,(H,23,24)/t13-/m1/s1 |
InChIKey | InChI | 1.03 | IZMCUINTVDMYCG-CYBMUJFWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](C(O)=O)c1ccc(c2ccc(C)c(F)c2)c(c1)C(F)(F)F |
SMILES | CACTVS | 3.385 | CC[CH](C(O)=O)c1ccc(c2ccc(C)c(F)c2)c(c1)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@H](c1ccc(c(c1)C(F)(F)F)c2ccc(c(c2)F)C)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCC(c1ccc(c(c1)C(F)(F)F)c2ccc(c(c2)F)C)C(=O)O |