Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(OC(COP([O-])(=O)OCC(O)CO)COC(=O)CCCCCCC)CCCCCCC |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OC[C@H](O)CO)OC(=O)CCCCCCC |
SMILES | CACTVS | 3.341 | CCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OC[CH](O)CO)OC(=O)CCCCCCC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC[C@@H](CO)O)OC(=O)CCCCCCC |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCC |
InChI | InChI | 1.03 | InChI=1S/C22H43O10P/c1-3-5-7-9-11-13-21(25)29-17-20(32-22(26)14-12-10-8-6-4-2)18-31-33(27,28)30-16-19(24)15-23/h19-20,23-24H,3-18H2,1-2H3,(H,27,28)/p-1/t19-,20-/m1/s1 |
InChIKey | InChI | 1.03 | BQEXNLVNNRZNEI-WOJBJXKFSA-M |