4-[[4-(2-tert-butyl-4-methyl-phenyl)phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[4-(2-tert-butyl-4-methyl-phenyl)phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-(2-tert-butyl-4-methyl-phenyl)phenoxy]methyl]benzoic acid CAS Name: 4-[[4-(2-tert-butyl-4-methylphenyl)phenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-(2-tert-butyl-4-methylphenyl)phenoxy]methyl]benzoic acid Traditional Name: 4-[[4-(2-tert-butyl-4-methyl-phenyl)phenoxy]methyl]benzoic acid Formula: C25H26O3 MolecularWeight: 374.47214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)C(C)(C)C

InChI

InChI=1S/C25H26O3/c1-17-5-14-22(23(15-17)25(2,3)4)19-10-12-21(13-11-19)28-16-18-6-8-20(9-7-18)24(26)27/h5-15H,16H2,1-4H3,(H,26,27)