(4-bromophenyl) 3,5-ditert-butylbenzoate

Systemtic Name: (4-bromophenyl) 3,5-ditert-butylbenzoate Openeye Name: (4-bromophenyl) 3,5-ditert-butylbenzoate CAS Name: 3,5-ditert-butylbenzoic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 3,5-ditert-butylbenzoate Traditional Name: 3,5-ditert-butylbenzoic acid (4-bromophenyl) ester Formula: C21H25BrO2 MolecularWeight: 389.326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrO2/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/h7-13H,1-6H3