Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=P(O)(OC1C(OCC(C)C)CC(O)C(O)C1O)OCC(OC)COCCCCCCCCCCCCCCCCCC |
InChI | InChI | 1.03 | InChI=1S/C32H65O10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-39-24-27(38-4)25-41-43(36,37)42-32-29(40-23-26(2)3)22-28(33)30(34)31(32)35/h26-35H,5-25H2,1-4H3,(H,36,37)/t27-,28-,29-,30+,31+,32-/m0/s1 |
InChIKey | InChI | 1.03 | QABIGYPSJDBBMK-IRTCKRRLSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCCCCCCCCCCCCCCCCCOC[C@@H](CO[P](O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)C[C@@H]1OCC(C)C)OC |
SMILES | CACTVS | 3.370 | CCCCCCCCCCCCCCCCCCOC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)C[CH]1OCC(C)C)OC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCCCCCCCCCCCCCCOC[C@@H](COP(=O)(O)O[C@H]1[C@H](C[C@@H]([C@H]([C@H]1O)O)O)OCC(C)C)OC |
SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1C(CC(C(C1O)O)O)OCC(C)C)OC |