Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OCC(O)CO)CCCCC\C=C/CCCCCCCC |
InChI | InChI | 1.03 | InChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h9-10,18,20-21H,2-8,11-17H2,1H3/b10-9-/t18-/m1/s1 |
InChIKey | InChI | 1.03 | OWGMAJRKMYGYBQ-HJCTWCACSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCC\C=C/CCCCCC(=O)OC[C@H](O)CO |
SMILES | CACTVS | 3.385 | CCCCCCCCC=CCCCCCC(=O)OC[CH](O)CO |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCCCCCC/C=C\CCCCCC(=O)OC[C@@H](CO)O |
SMILES | OpenEye OEToolkits | 1.9.2 | CCCCCCCCC=CCCCCCC(=O)OCC(CO)O |