2-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]benzoate

Systemtic Name: 2-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]benzoate Openeye Name: 2-[[4-(1,1,3,3-tetramethylbutyl)phenoxy]methyl]benzoate CAS Name: 2-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]benzoate IUPAC Name: 2-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]benzoate Traditional Name: 2-[[4-(1,1,3,3-tetramethylbutyl)phenoxy]methyl]benzoate Formula: C22H27O3- MolecularWeight: 339.44798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)[O-]

InChI

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