[4-(2-methylbutan-2-yl)phenyl] 5-bromanyl-2-propan-2-yloxy-benzoate

Systemtic Name: [4-(2-methylbutan-2-yl)phenyl] 5-bromanyl-2-propan-2-yloxy-benzoate Openeye Name: [4-(1,1-dimethylpropyl)phenyl] 5-bromo-2-isopropoxy-benzoate CAS Name: 5-bromo-2-propan-2-yloxybenzoic acid [4-(2-methylbutan-2-yl)phenyl] ester IUPAC Name: [4-(2-methylbutan-2-yl)phenyl] 5-bromo-2-propan-2-yloxybenzoate Traditional Name: 5-bromo-2-isopropoxy-benzoic acid (4-tert-amylphenyl) ester Formula: C21H25BrO3 MolecularWeight: 405.3254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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