Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P([O-])(O)OCC(OC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCCCC(=O)OC[C@H](CO[P](O)([O-])=O)OC(=O)CCCCCCCCC |
SMILES | CACTVS | 3.341 | CCCCCCCCCC(=O)OC[CH](CO[P](O)([O-])=O)OC(=O)CCCCCCCCC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCC |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCCCC |
InChI | InChI | 1.03 | InChI=1S/C23H45O8P/c1-3-5-7-9-11-13-15-17-22(24)29-19-21(20-30-32(26,27)28)31-23(25)18-16-14-12-10-8-6-4-2/h21H,3-20H2,1-2H3,(H2,26,27,28)/p-1/t21-/m1/s1 |
InChIKey | InChI | 1.03 | PHQFPHNJHDEXLJ-OAQYLSRUSA-M |