(4-bromophenyl) 3,5-ditert-butylcyclohexane-1-carboxylate

Systemtic Name: (4-bromophenyl) 3,5-ditert-butylcyclohexane-1-carboxylate Openeye Name: (4-bromophenyl) 3,5-ditert-butylcyclohexanecarboxylate CAS Name: 3,5-ditert-butyl-1-cyclohexanecarboxylic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 3,5-ditert-butylcyclohexane-1-carboxylate Traditional Name: 3,5-ditert-butylcyclohexanecarboxylic acid (4-bromophenyl) ester Formula: C21H31BrO2 MolecularWeight: 395.37364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CC(CC(C1)C(C)(C)C)C(=O)OC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)C1CC(CC(C1)C(C)(C)C)C(=O)OC2=CC=C(C=C2)Br

InChI

InChI=1S/C21H31BrO2/c1-20(2,3)15-11-14(12-16(13-15)21(4,5)6)19(23)24-18-9-7-17(22)8-10-18/h7-10,14-16H,11-13H2,1-6H3