3-[(4-tert-butylphenoxy)methyl]-2-oxidanyl-5-[4-(trifluoromethyl)phenyl]benzoic acid

Systemtic Name: 3-[(4-tert-butylphenoxy)methyl]-2-oxidanyl-5-[4-(trifluoromethyl)phenyl]benzoic acid Openeye Name: 3-[(4-tert-butylphenoxy)methyl]-2-hydroxy-5-[4-(trifluoromethyl)phenyl]benzoic acid CAS Name: 3-[(4-tert-butylphenoxy)methyl]-2-hydroxy-5-[4-(trifluoromethyl)phenyl]benzoic acid IUPAC Name: 3-[(4-tert-butylphenoxy)methyl]-2-hydroxy-5-[4-(trifluoromethyl)phenyl]benzoic acid Traditional Name: 3-[(4-tert-butylphenoxy)methyl]-2-hydroxy-5-[4-(trifluoromethyl)phenyl]benzoic acid Formula: C25H23F3O4 MolecularWeight: 444.44293

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=CC(=CC(=C2O)C(=O)O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=CC(=CC(=C2O)C(=O)O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C25H23F3O4/c1-24(2,3)18-8-10-20(11-9-18)32-14-17-12-16(13-21(22(17)29)23(30)31)15-4-6-19(7-5-15)25(26,27)28/h4-13,29H,14H2,1-3H3,(H,30,31)