FFF
Summary
| Name: | TRIFLUOROFURNESYL DIPHOSPHATE |
| Formula: | C15 H25 F3 O7 P2 |
| Formal charge: | 0 |
| Formula weight: | 436.298 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2Z,6E)-7,11-dimethyl-3-(trifluoromethyl)dodeca-2,6,10-trien-1-yl trihydrogen diphosphate |
| OpenEye OEToolkits | 1.5.0 | [(2Z,6E)-7,11-dimethyl-3-(trifluoromethyl)dodeca-2,6,10-trienyl] phosphono hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | FC(F)(F)/C(=C\COP(=O)(OP(=O)(O)O)O)CC\C=C(/C)CC\C=C(/C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)=CCC/C(C)=C/CC/C(=C/CO[P@@](O)(=O)O[P](O)(O)=O)C(F)(F)F |
| SMILES | CACTVS | 3.341 | CC(C)=CCCC(C)=CCCC(=CCO[P](O)(=O)O[P](O)(O)=O)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=CCC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C(F)(F)F)/C)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C(F)(F)F)C)C |
| InChI | InChI | 1.03 | InChI=1S/C15H25F3O7P2/c1-12(2)6-4-7-13(3)8-5-9-14(15(16,17)18)10-11-24-27(22,23)25-26(19,20)21/h6,8,10H,4-5,7,9,11H2,1-3H3,(H,22,23)(H2,19,20,21)/b13-8+,14-10- |
| InChIKey | InChI | 1.03 | PXLMLAFPAPGGKK-GVCYOOEQSA-N |
