Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1 |
InChIKey | InChI | 1.06 | XTNGUQKDFGDXSJ-ZXGKGEBGSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1Cc2sc(cc2)c3ccc(F)cc3)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O |
SMILES | CACTVS | 3.385 | Cc1ccc(cc1Cc2sc(cc2)c3ccc(F)cc3)[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1Cc2ccc(s2)c3ccc(cc3)F)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1Cc2ccc(s2)c3ccc(cc3)F)C4C(C(C(C(O4)CO)O)O)O |