Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H42NO8P/c1-3-5-7-9-11-13-20(23)27-17-19(18-29-31(25,26)28-16-15-22)30-21(24)14-12-10-8-6-4-2/h19H,3-18,22H2,1-2H3,(H,25,26)/t19-/m1/s1 |
InChIKey | InChI | 1.03 | UNACBKDVIYEXSL-LJQANCHMSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC |
SMILES | CACTVS | 3.385 | CCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCC |