Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)C(O)(/C=C/C=C(/c1cccc(c1)CCc2cc(c(cc2)CO)CO)CC)C(F)(F)F |
InChI | InChI | 1.03 | InChI=1S/C25H26F6O3/c1-2-19(7-4-12-23(34,24(26,27)28)25(29,30)31)20-6-3-5-17(13-20)8-9-18-10-11-21(15-32)22(14-18)16-33/h3-7,10-14,32-34H,2,8-9,15-16H2,1H3/b12-4+,19-7+ |
InChIKey | InChI | 1.03 | GDMSFPQHUTVPQR-XFNPMVETSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC\C(=C/C=C/C(O)(C(F)(F)F)C(F)(F)F)c1cccc(CCc2ccc(CO)c(CO)c2)c1 |
SMILES | CACTVS | 3.370 | CCC(=CC=CC(O)(C(F)(F)F)C(F)(F)F)c1cccc(CCc2ccc(CO)c(CO)c2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC/C(=C\C=C\C(C(F)(F)F)(C(F)(F)F)O)/c1cccc(c1)CCc2ccc(c(c2)CO)CO |
SMILES | OpenEye OEToolkits | 1.7.6 | CCC(=CC=CC(C(F)(F)F)(C(F)(F)F)O)c1cccc(c1)CCc2ccc(c(c2)CO)CO |