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

Systemtic Name: [4-(2,4,4-trimethylpentan-2-yl)phenyl] benzoate Openeye Name: [4-(1,1,3,3-tetramethylbutyl)phenyl] benzoate CAS Name: benzoic acid [4-(2,4,4-trimethylpentan-2-yl)phenyl] ester IUPAC Name: [4-(2,4,4-trimethylpentan-2-yl)phenyl] benzoate Traditional Name: benzoic acid [4-(1,1,3,3-tetramethylbutyl)phenyl] ester Formula: C21H26O2 MolecularWeight: 310.42994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26O2/c1-20(2,3)15-21(4,5)17-11-13-18(14-12-17)23-19(22)16-9-7-6-8-10-16/h6-14H,15H2,1-5H3