Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | FC4(F)CC2C(c3c(OC2c1ccc(O)cc1)ccc(O)c3)C4 |
SMILES_CANONICAL | CACTVS | 3.341 | Oc1ccc(cc1)[C@@H]2Oc3ccc(O)cc3[C@@H]4CC(F)(F)C[C@H]24 |
SMILES | CACTVS | 3.341 | Oc1ccc(cc1)[CH]2Oc3ccc(O)cc3[CH]4CC(F)(F)C[CH]24 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1[C@H]2[C@H]3CC(C[C@H]3c4cc(ccc4O2)O)(F)F)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C2C3CC(CC3c4cc(ccc4O2)O)(F)F)O |
InChI | InChI | 1.03 | InChI=1S/C18H16F2O3/c19-18(20)8-14-13-7-12(22)5-6-16(13)23-17(15(14)9-18)10-1-3-11(21)4-2-10/h1-7,14-15,17,21-22H,8-9H2/t14-,15-,17-/m0/s1 |
InChIKey | InChI | 1.03 | QJSMFUTULGSHNQ-ZOBUZTSGSA-N |