(2-butan-2-ylphenyl) 3-bromanyl-4-tert-butyl-benzoate

Systemtic Name: (2-butan-2-ylphenyl) 3-bromanyl-4-tert-butyl-benzoate Openeye Name: (2-sec-butylphenyl) 3-bromo-4-tert-butyl-benzoate CAS Name: 3-bromo-4-tert-butylbenzoic acid (2-butan-2-ylphenyl) ester IUPAC Name: (2-butan-2-ylphenyl) 3-bromo-4-tert-butylbenzoate Traditional Name: 3-bromo-4-tert-butyl-benzoic acid (2-sec-butylphenyl) ester Formula: C21H25BrO2 MolecularWeight: 389.326

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OC(=O)C2=CC(=C(C=C2)C(C)(C)C)Br

Isomeric SMILES

CCC(C)C1=CC=CC=C1OC(=O)C2=CC(=C(C=C2)C(C)(C)C)Br

InChI

InChI=1S/C21H25BrO2/c1-6-14(2)16-9-7-8-10-19(16)24-20(23)15-11-12-17(18(22)13-15)21(3,4)5/h7-14H,6H2,1-5H3