Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OC(COP(=O)(O)O)COC(=O)CCCCC)CCCCC |
InChI | InChI | 1.03 | InChI=1S/C15H29O8P/c1-3-5-7-9-14(16)21-11-13(12-22-24(18,19)20)23-15(17)10-8-6-4-2/h13H,3-12H2,1-2H3,(H2,18,19,20)/t13-/m1/s1 |
InChIKey | InChI | 1.03 | SFZZRGHNPILUOD-CYBMUJFWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCC(=O)OC[C@H](CO[P](O)(O)=O)OC(=O)CCCCC |
SMILES | CACTVS | 3.385 | CCCCCC(=O)OC[CH](CO[P](O)(O)=O)OC(=O)CCCCC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCC |
SMILES | OpenEye OEToolkits | 1.9.2 | CCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCC |