(4-bromanyl-2-tert-butyl-phenyl) 4-tert-butylbenzoate

Systemtic Name: (4-bromanyl-2-tert-butyl-phenyl) 4-tert-butylbenzoate Openeye Name: (4-bromo-2-tert-butyl-phenyl) 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid (4-bromo-2-tert-butylphenyl) ester IUPAC Name: (4-bromo-2-tert-butylphenyl) 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid (4-bromo-2-tert-butyl-phenyl) ester Formula: C21H25BrO2 MolecularWeight: 389.326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrO2/c1-20(2,3)15-9-7-14(8-10-15)19(23)24-18-12-11-16(22)13-17(18)21(4,5)6/h7-13H,1-6H3