2CF
Summary
| Name: | (2E,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate |
| Formula: | C15 H27 F O7 P2 |
| Formal charge: | 0 |
| Formula weight: | 400.317 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate |
| OpenEye OEToolkits | 1.7.0 | [(2E,6E)-2-fluoro-3,7,11-trimethyl-dodeca-2,6,10-trienyl] phosphono hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OP(=O)(OCC(/F)=C(/C)CC\C=C(/C)CC\C=C(/C)C)O |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)=CCC/C(C)=C/CC\C(C)=C(\F)CO[P](O)(=O)O[P](O)(O)=O |
| SMILES | CACTVS | 3.370 | CC(C)=CCCC(C)=CCCC(C)=C(F)CO[P](O)(=O)O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(=CCC/C(=C/CC/C(=C(\CO[P@@](=O)(O)OP(=O)(O)O)/F)/C)/C)C |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(=CCCC(=CCCC(=C(COP(=O)(O)OP(=O)(O)O)F)C)C)C |
| InChI | InChI | 1.03 | InChI=1S/C15H27FO7P2/c1-12(2)7-5-8-13(3)9-6-10-14(4)15(16)11-22-25(20,21)23-24(17,18)19/h7,9H,5-6,8,10-11H2,1-4H3,(H,20,21)(H2,17,18,19)/b13-9+,15-14+ |
| InChIKey | InChI | 1.03 | DXHJZCKJWKWTCH-BBXOWAOSSA-N |
