O1-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-(4-hydroxyphenyl)propan-2-yl]phenyl] O5-[1,1,1,3,3,3-hexakis(fluoranyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]propan-2-yl] 2-ethyl-4-methyl-pentanedioate

Systemtic Name: O1-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-(4-hydroxyphenyl)propan-2-yl]phenyl] O5-[1,1,1,3,3,3-hexakis(fluoranyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]propan-2-yl] 2-ethyl-4-methyl-pentanedioate Openeye Name: O1-[1-tert-butoxycarbonyl-2,2,2-trifluoro-1-(trifluoromethyl)ethyl] O5-[4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)-1-(trifluoromethyl)ethyl]phenyl] 4-ethyl-2-methyl-pentanedioate CAS Name: 2-ethyl-4-methylpentanedioic acid O1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenyl] ester O5-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy-oxomethyl]propan-2-yl] ester IUPAC Name: 1-O-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenyl] 5-O-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]propan-2-yl] 2-ethyl-4-methylpentanedioate Traditional Name: 4-ethyl-2-methyl-glutaric acid O1-[1-tert-butoxycarbonyl-2,2,2-trifluoro-1-(trifluoromethyl)ethyl] ester O5-[4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)-1-(trifluoromethyl)ethyl]phenyl] ester Formula: C31H30F12O7 MolecularWeight: 742.546538

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C(=O)OC(C(=O)OC(C)(C)C)(C(F)(F)F)C(F)(F)F)C(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)O)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCC(CC(C)C(=O)OC(C(=O)OC(C)(C)C)(C(F)(F)F)C(F)(F)F)C(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)O)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C31H30F12O7/c1-6-17(15-16(2)22(45)49-27(30(38,39)40,31(41,42)43)24(47)50-25(3,4)5)23(46)48-21-13-9-19(10-14-21)26(28(32,33)34,29(35,36)37)18-7-11-20(44)12-8-18/h7-14,16-17,44H,6,15H2,1-5H3