Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(CC(OCCOCC(OCCO)C1C(OCCO)CC(O1)OCCO)=O)CCCCC[C@H]=[C@H]CCCCCCCC |
InChI | InChI | 1.03 | InChI=1S/C32H60O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30(36)40-25-24-37-27-29(39-22-19-34)32-28(38-21-18-33)26-31(42-32)41-23-20-35/h9-10,28-29,31-35H,2-8,11-27H2,1H3/b10-9+/t28-,29+,31-,32+/m1/s1 |
InChIKey | InChI | 1.03 | RGPBUVUVZKQNHD-YPJAPDKZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCC\C=C\CCCCCCCC(=O)OCCOC[C@H](OCCO)[C@H]1O[C@H](C[C@H]1OCCO)OCCO |
SMILES | CACTVS | 3.385 | CCCCCCCCC=CCCCCCCCC(=O)OCCOC[CH](OCCO)[CH]1O[CH](C[CH]1OCCO)OCCO |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCC/C=C/CCCCCCCC(=O)OCCOC[C@@H]([C@@H]1[C@@H](C[C@@H](O1)OCCO)OCCO)OCCO |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCCC=CCCCCCCCC(=O)OCCOCC(C1C(CC(O1)OCCO)OCCO)OCCO |