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

Systemtic Name: 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzoate Openeye Name: 2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]benzoate CAS Name: 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzoate IUPAC Name: 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzoate Traditional Name: 2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]benzoate Formula: C21H25O3- MolecularWeight: 325.4214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C21H26O3/c1-20(2,3)14-21(4,5)15-10-12-16(13-11-15)24-18-9-7-6-8-17(18)19(22)23/h6-13H,14H2,1-5H3,(H,22,23)/p-1