Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P([O-])(O)OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCC)CO[P](O)([O-])=O |
SMILES | CACTVS | 3.341 | CCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCC=CCCCC)CO[P](O)([O-])=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCC)CO[P@@](=O)(O)[O-] |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCC)COP(=O)(O)[O-] |
InChI | InChI | 1.03 | InChI=1S/C31H59O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(32)37-27-29(28-38-40(34,35)36)39-31(33)26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11,29H,3-8,10,12-28H2,1-2H3,(H2,34,35,36)/p-1/b11-9-/t29-/m1/s1 |
InChIKey | InChI | 1.03 | GVANAVLIALOKCA-HQGHLRICSA-M |