Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(O)(OCC(OC(=O)CCCCCC)COC(=O)CCCCCC)O |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCC(=O)OC[C@H](CO[P](O)(O)=O)OC(=O)CCCCCC |
SMILES | CACTVS | 3.341 | CCCCCCC(=O)OC[CH](CO[P](O)(O)=O)OC(=O)CCCCCC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCC |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCC |
InChI | InChI | 1.03 | InChI=1S/C17H33O8P/c1-3-5-7-9-11-16(18)23-13-15(14-24-26(20,21)22)25-17(19)12-10-8-6-4-2/h15H,3-14H2,1-2H3,(H2,20,21,22)/t15-/m1/s1 |
InChIKey | InChI | 1.03 | JAXUAGQDLYDLQB-OAHLLOKOSA-N |