Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1(C(C(O)C(C(O1)COC(CCCCCCCCC)=O)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C16H30O7/c1-2-3-4-5-6-7-8-9-12(17)22-10-11-13(18)14(19)15(20)16(21)23-11/h11,13-16,18-21H,2-10H2,1H3/t11-,13-,14+,15-,16+/m1/s1 |
InChIKey | InChI | 1.03 | WVGXAJWVJXKEID-JZYAIQKZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCC(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O |
SMILES | CACTVS | 3.385 | CCCCCCCCCC(=O)OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCC(=O)OCC1C(C(C(C(O1)O)O)O)O |