Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h15-18,37,40H,3-14,19-36H2,1-2H3/b17-15+,18-16+ |
InChIKey | InChI | 1.03 | YVMVBCNUZPOELF-YTEMWHBBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCC\C=C\CCCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCC/C=C/CCCCCCC |
SMILES | CACTVS | 3.385 | CCCCCCCC=CCCCCCCCCC(=O)OC[CH](O)COC(=O)CCCCCCCCC=CCCCCCCC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCC/C=C/CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC/C=C/CCCCCCC |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCC=CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CCCCCCCC)O |