(2-bromanyl-4-butan-2-yl-phenyl) 4-(2-methylpropoxy)benzoate

Systemtic Name: (2-bromanyl-4-butan-2-yl-phenyl) 4-(2-methylpropoxy)benzoate Openeye Name: (2-bromo-4-sec-butyl-phenyl) 4-isobutoxybenzoate CAS Name: 4-(2-methylpropoxy)benzoic acid (2-bromo-4-butan-2-ylphenyl) ester IUPAC Name: (2-bromo-4-butan-2-ylphenyl) 4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxybenzoic acid (2-bromo-4-sec-butyl-phenyl) ester Formula: C21H25BrO3 MolecularWeight: 405.3254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)OCC(C)C)Br

Isomeric SMILES

CCC(C)C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)OCC(C)C)Br

InChI

InChI=1S/C21H25BrO3/c1-5-15(4)17-8-11-20(19(22)12-17)25-21(23)16-6-9-18(10-7-16)24-13-14(2)3/h6-12,14-15H,5,13H2,1-4H3