Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(OCC2OC(c1cc(c(F)cc1F)C)CC2O)(O)O |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1cc([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)c(F)cc1F |
SMILES | CACTVS | 3.341 | Cc1cc([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)c(F)cc1F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc(c(cc1F)F)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc(c(cc1F)F)C2CC(C(O2)COP(=O)(O)O)O |
InChI | InChI | 1.03 | InChI=1S/C12H15F2O6P/c1-6-2-7(9(14)3-8(6)13)11-4-10(15)12(20-11)5-19-21(16,17)18/h2-3,10-12,15H,4-5H2,1H3,(H2,16,17,18)/t10-,11+,12+/m0/s1 |
InChIKey | InChI | 1.03 | NMMWBGNJJMNAIJ-QJPTWQEYSA-N |