Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(OC(COC(=O)CCCCCCCCC)CO)CCCCCCCCC |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC |
SMILES | CACTVS | 3.341 | CCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCCC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC |
InChI | InChI | 1.03 | InChI=1S/C23H44O5/c1-3-5-7-9-11-13-15-17-22(25)27-20-21(19-24)28-23(26)18-16-14-12-10-8-6-4-2/h21,24H,3-20H2,1-2H3/t21-/m0/s1 |
InChIKey | InChI | 1.03 | GNSDEDOVXZDMKM-NRFANRHFSA-N |