3-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-(1,1,3,3-tetramethylbutyl)phenoxy]methyl]benzoic acid CAS Name: 3-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]benzoic acid Traditional Name: 3-[[4-(1,1,3,3-tetramethylbutyl)phenoxy]methyl]benzoic acid Formula: C22H28O3 MolecularWeight: 340.45592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C22H28O3/c1-21(2,3)15-22(4,5)18-9-11-19(12-10-18)25-14-16-7-6-8-17(13-16)20(23)24/h6-13H,14-15H2,1-5H3,(H,23,24)