tert-butyl 6-[[4-(4-acetyloxyphenyl)phenoxy]methyl]-2-oxidanyl-3-(trifluoromethyl)benzoate

Systemtic Name: tert-butyl 6-[[4-(4-acetyloxyphenyl)phenoxy]methyl]-2-oxidanyl-3-(trifluoromethyl)benzoate Openeye Name: tert-butyl 6-[[4-(4-acetoxyphenyl)phenoxy]methyl]-2-hydroxy-3-(trifluoromethyl)benzoate CAS Name: 6-[[4-(4-acetyloxyphenyl)phenoxy]methyl]-2-hydroxy-3-(trifluoromethyl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 6-[[4-(4-acetyloxyphenyl)phenoxy]methyl]-2-hydroxy-3-(trifluoromethyl)benzoate Traditional Name: 6-[[4-(4-acetoxyphenyl)phenoxy]methyl]-2-hydroxy-3-(trifluoromethyl)benzoic acid tert-butyl ester Formula: C27H25F3O6 MolecularWeight: 502.47901

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)OCC3=C(C(=C(C=C3)C(F)(F)F)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)OCC3=C(C(=C(C=C3)C(F)(F)F)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H25F3O6/c1-16(31)35-21-12-7-18(8-13-21)17-5-10-20(11-6-17)34-15-19-9-14-22(27(28,29)30)24(32)23(19)25(33)36-26(2,3)4/h5-14,32H,15H2,1-4H3