Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C17H32O6/c1-2-3-4-5-6-7-8-9-10-11-22-16-14(19)13(12-18)23-17(21)15(16)20/h2,13-21H,1,3-12H2/t13-,14-,15-,16+,17+/m1/s1 |
InChIKey | InChI | 1.03 | YZRNUMHABGDGTN-MTSZKFMLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@H](O)[C@H](O)[C@@H](OCCCCCCCCCC=C)[C@@H]1O |
SMILES | CACTVS | 3.385 | OC[CH]1O[CH](O)[CH](O)[CH](OCCCCCCCCCC=C)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C=CCCCCCCCCCO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O)CO)O |
SMILES | OpenEye OEToolkits | 2.0.7 | C=CCCCCCCCCCOC1C(C(OC(C1O)O)CO)O |