Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OC(COP(=O)(O)O)COC(=O)CCCCCC)CCCCCCCC |
InChI | InChI | 1.03 | InChI=1S/C19H37O8P/c1-3-5-7-9-10-12-14-19(21)27-17(16-26-28(22,23)24)15-25-18(20)13-11-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,24)/t17-/m1/s1 |
InChIKey | InChI | 1.03 | XKPYMIOWFWFMRM-QGZVFWFLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)CO[P](O)(O)=O |
SMILES | CACTVS | 3.385 | CCCCCCCCC(=O)O[CH](COC(=O)CCCCCC)CO[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)COP(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | CCCCCCCCC(=O)OC(COC(=O)CCCCCC)COP(=O)(O)O |