(4-bromophenyl) 3,5-ditert-butyl-4-oxidanyl-benzoate

Systemtic Name: (4-bromophenyl) 3,5-ditert-butyl-4-oxidanyl-benzoate Openeye Name: (4-bromophenyl) 3,5-ditert-butyl-4-hydroxy-benzoate CAS Name: 3,5-ditert-butyl-4-hydroxybenzoic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 3,5-ditert-butyl-4-hydroxybenzoate Traditional Name: 3,5-ditert-butyl-4-hydroxy-benzoic acid (4-bromophenyl) ester Formula: C21H25BrO3 MolecularWeight: 405.3254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=CC=C(C=C2)Br

InChI

InChI=1S/C21H25BrO3/c1-20(2,3)16-11-13(12-17(18(16)23)21(4,5)6)19(24)25-15-9-7-14(22)8-10-15/h7-12,23H,1-6H3