Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(OC(COP([O-])(=O)OCC(O)CO)COC(=O)CCCC)CCCCCCC |
InChI | InChI | 1.03 | InChI=1S/C19H37O10P/c1-3-5-7-8-9-11-19(23)29-17(14-26-18(22)10-6-4-2)15-28-30(24,25)27-13-16(21)12-20/h16-17,20-21H,3-15H2,1-2H3,(H,24,25)/p-1/t16-,17+/m0/s1 |
InChIKey | InChI | 1.03 | UQSXQYRZHMGKIE-DLBZAZTESA-M |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCC(=O)O[C@H](COC(=O)CCCC)CO[P]([O-])(=O)OC[C@@H](O)CO |
SMILES | CACTVS | 3.385 | CCCCCCCC(=O)O[CH](COC(=O)CCCC)CO[P]([O-])(=O)OC[CH](O)CO |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | CCCCCCCC(=O)O[C@H](COC(=O)CCCC)COP(=O)([O-])OC[C@H](CO)O |
SMILES | OpenEye OEToolkits | 1.7.5 | CCCCCCCC(=O)OC(COC(=O)CCCC)COP(=O)([O-])OCC(CO)O |