Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C22H42O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(23)28-16-17-19(24)20(25)21(26)22(27)29-17/h17,19-22,24-27H,2-16H2,1H3/t17-,19-,20+,21+,22+/m1/s1 |
InChIKey | InChI | 1.03 | JTWNPFJEQQORKD-ICGSVKGVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O |
SMILES | CACTVS | 3.385 | CCCCCCCCCCCCCCCC(=O)OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)O)O)O)O |