phenyl 4-[1,4,4,4-tetrakis(fluoranyl)-2-[1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]-3-(trifluoromethyl)but-1-enoxy]benzoate

Systemtic Name: phenyl 4-[1,4,4,4-tetrakis(fluoranyl)-2-[1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]-3-(trifluoromethyl)but-1-enoxy]benzoate Openeye Name: phenyl 4-[1,4,4,4-tetrafluoro-3-(trifluoromethyl)-2-[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]but-1-enoxy]benzoate CAS Name: 4-[1,4,4,4-tetrafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(trifluoromethyl)but-1-enoxy]benzoic acid phenyl ester IUPAC Name: phenyl 4-[1,4,4,4-tetrafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(trifluoromethyl)but-1-enoxy]benzoate Traditional Name: 4-[1,4,4,4-tetrafluoro-3-(trifluoromethyl)-2-[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]but-1-enoxy]benzoic acid phenyl ester Formula: C21H11F13O3 MolecularWeight: 558.289482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OC(=C(C(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F)F

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OC(=C(C(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F)F

InChI

InChI=1S/C21H11F13O3/c22-16(36-12-8-6-10(7-9-12)17(35)37-11-4-2-1-3-5-11)13(14(18(23,24)25)19(26,27)28)15(20(29,30)31)21(32,33)34/h1-9,14-15H