Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | FC(F)(F)c3ccc(OCc2ccc(Sc1c(c(c(OCC(=O)O)cc1)C)C)c(OCC#C)c2)cc3 |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#C)ccc1OCC(O)=O |
SMILES | CACTVS | 3.341 | Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#C)ccc1OCC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(c(ccc1OCC(=O)O)Sc2ccc(cc2OCC#C)COc3ccc(cc3)C(F)(F)F)C |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(c(ccc1OCC(=O)O)Sc2ccc(cc2OCC#C)COc3ccc(cc3)C(F)(F)F)C |
InChI | InChI | 1.03 | InChI=1S/C27H23F3O5S/c1-4-13-33-23-14-19(15-34-21-8-6-20(7-9-21)27(28,29)30)5-11-25(23)36-24-12-10-22(17(2)18(24)3)35-16-26(31)32/h1,5-12,14H,13,15-16H2,2-3H3,(H,31,32) |
InChIKey | InChI | 1.03 | RMMWVBYHCKSFMW-UHFFFAOYSA-N |