Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=P(O)(O)OP(=O)(OCC(OC(=O)CCCCCCC)COC(=O)CCCCCCC)O |
InChI | InChI | 1.03 | InChI=1S/C19H38O11P2/c1-3-5-7-9-11-13-18(20)27-15-17(16-28-32(25,26)30-31(22,23)24)29-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,25,26)(H2,22,23,24)/t17-/m1/s1 |
InChIKey | InChI | 1.03 | MBDSUZSCJLRKPC-QGZVFWFLSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCCCCCCC(=O)OC[C@H](CO[P](O)(=O)O[P](O)(O)=O)OC(=O)CCCCCCC |
SMILES | CACTVS | 3.370 | CCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[P](O)(O)=O)OC(=O)CCCCCCC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OP(=O)(O)O)OC(=O)CCCCCCC |
SMILES | OpenEye OEToolkits | 1.7.2 | CCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)O)OC(=O)CCCCCCC |