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Summary

Name:TRIFLUOROFURNESYL DIPHOSPHATE
Formula:C15 H25 F3 O7 P2
Formal charge:0
Molecular weight:436.298 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2Z,6E)-7,11-dimethyl-3-(trifluoromethyl)dodeca-2,6,10-trien-1-yl trihydrogen diphosphate
OpenEye OEToolkits1.5.0[(2Z,6E)-7,11-dimethyl-3-(trifluoromethyl)dodeca-2,6,10-trienyl] phosphono hydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04FC(F)(F)/C(=C\COP(=O)(OP(=O)(O)O)O)CC\C=C(/C)CC\C=C(/C)C
SMILES_CANONICALCACTVS3.341CC(C)=CCC/C(C)=C/CC/C(=C/CO[P@@](O)(=O)O[P](O)(O)=O)C(F)(F)F
SMILESCACTVS3.341CC(C)=CCCC(C)=CCCC(=CCO[P](O)(=O)O[P](O)(O)=O)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(=CCC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C(F)(F)F)/C)C
SMILESOpenEye OEToolkits1.5.0CC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C(F)(F)F)C)C
InChIInChI1.03InChI=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-
InChIKeyInChI1.03PXLMLAFPAPGGKK-GVCYOOEQSA-N