Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C39H80O21/c40-1-4-43-7-10-46-13-16-49-19-21-52-25-27-55-31-33-58-37-39(60-36-35-57-30-29-54-24-23-51-18-15-48-12-9-45-6-3-42)38-59-34-32-56-28-26-53-22-20-50-17-14-47-11-8-44-5-2-41/h39-42H,1-38H2 |
InChIKey | InChI | 1.06 | PVDRPYVNUSQYRG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OCCOCCOCCOCCOCCOCCOCC(COCCOCCOCCOCCOCCOCCO)OCCOCCOCCOCCOCCOCCO |
SMILES | CACTVS | 3.385 | OCCOCCOCCOCCOCCOCCOCC(COCCOCCOCCOCCOCCOCCO)OCCOCCOCCOCCOCCOCCO |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(COCCOCCOCCOCCOCCOCC(COCCOCCOCCOCCOCCOCCO)OCCOCCOCCOCCOCCOCCO)O |
SMILES | OpenEye OEToolkits | 2.0.7 | C(COCCOCCOCCOCCOCCOCC(COCCOCCOCCOCCOCCOCCO)OCCOCCOCCOCCOCCOCCO)O |