Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(CCCCCCC)(OC1C(C(O)OC(C1O)CO)O)=O |
InChI | InChI | 1.03 | InChI=1S/C14H26O7/c1-2-3-4-5-6-7-10(16)21-13-11(17)9(8-15)20-14(19)12(13)18/h9,11-15,17-19H,2-8H2,1H3/t9-,11-,12-,13+,14+/m1/s1 |
InChIKey | InChI | 1.03 | XXOQQAWGIDQJOO-KVRLPLMBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]1O |
SMILES | CACTVS | 3.385 | CCCCCCCC(=O)O[CH]1[CH](O)[CH](O)O[CH](CO)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O)CO)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCC(=O)OC1C(C(OC(C1O)O)CO)O |