Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | S(CCCCCCC)C1OC(C(O)C(O)C1O)CO |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCS[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
SMILES | CACTVS | 3.341 | CCCCCCCS[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCSC1C(C(C(C(O1)CO)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C13H26O5S/c1-2-3-4-5-6-7-19-13-12(17)11(16)10(15)9(8-14)18-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12-,13+/m1/s1 |
InChIKey | InChI | 1.03 | HPEGNLMTTNTJSP-LBELIVKGSA-N |