Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [O-]P(=O)(OCC[N+](C)(C)C)OCC(OC(O)CCCCCCCCCCCCCCC)COC(O)CCCCCCCCCCCCCCCCC |
InChI | InChI | 1.03 | InChI=1S/C42H88NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h40-42,44-45H,6-39H2,1-5H3/t40-,41+,42+/m0/s1 |
InChIKey | InChI | 1.03 | LYKCEYRWVRQPBD-FEWNNGCESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCCCCCCCCC[C@H](O)OC[C@@H](CO[P]([O-])(=O)OCC[N+](C)(C)C)O[C@@H](O)CCCCCCCCCCCCCCC |
SMILES | CACTVS | 3.385 | CCCCCCCCCCCCCCCCC[CH](O)OC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)O[CH](O)CCCCCCCCCCCCCCC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | CCCCCCCCCCCCCCCCC[C@H](O)OC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)O[C@H](CCCCCCCCCCCCCCC)O |
SMILES | OpenEye OEToolkits | 1.7.5 | CCCCCCCCCCCCCCCCCC(O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(CCCCCCCCCCCCCCC)O |