Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(CCCCCC)C(O)CCCCCCCCCC |
InChI | InChI | 1.03 | InChI=1S/C19H38O3/c1-3-5-7-9-10-11-12-14-16-18(20)17(19(21)22)15-13-8-6-4-2/h17-18,20H,3-16H2,1-2H3,(H,21,22)/t17-,18-/m1/s1 |
InChIKey | InChI | 1.03 | OYDUHHOWTJLUGL-QZTJIDSGSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCCCCCCCCC[C@@H](O)[C@@H](CCCCCC)C(O)=O |
SMILES | CACTVS | 3.370 | CCCCCCCCCC[CH](O)[CH](CCCCCC)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCCCCCCCCC[C@H]([C@@H](CCCCCC)C(=O)O)O |
SMILES | OpenEye OEToolkits | 1.7.2 | CCCCCCCCCCC(C(CCCCCC)C(=O)O)O |