(4-tert-butylphenyl) 3-bromanyl-4-butoxy-benzoate

Systemtic Name: (4-tert-butylphenyl) 3-bromanyl-4-butoxy-benzoate Openeye Name: (4-tert-butylphenyl) 3-bromo-4-butoxy-benzoate CAS Name: 3-bromo-4-butoxybenzoic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 3-bromo-4-butoxybenzoate Traditional Name: 3-bromo-4-butoxy-benzoic acid (4-tert-butylphenyl) ester Formula: C21H25BrO3 MolecularWeight: 405.3254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(C)(C)C)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(C)(C)C)Br

InChI

InChI=1S/C21H25BrO3/c1-5-6-13-24-19-12-7-15(14-18(19)22)20(23)25-17-10-8-16(9-11-17)21(2,3)4/h7-12,14H,5-6,13H2,1-4H3