(2,4-ditert-butylphenyl) 3-bromanyl-4-methyl-benzoate

Systemtic Name: (2,4-ditert-butylphenyl) 3-bromanyl-4-methyl-benzoate Openeye Name: (2,4-ditert-butylphenyl) 3-bromo-4-methyl-benzoate CAS Name: 3-bromo-4-methylbenzoic acid (2,4-ditert-butylphenyl) ester IUPAC Name: (2,4-ditert-butylphenyl) 3-bromo-4-methylbenzoate Traditional Name: 3-bromo-4-methyl-benzoic acid (2,4-ditert-butylphenyl) ester Formula: C22H27BrO2 MolecularWeight: 403.35258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)Br

InChI

InChI=1S/C22H27BrO2/c1-14-8-9-15(12-18(14)23)20(24)25-19-11-10-16(21(2,3)4)13-17(19)22(5,6)7/h8-13H,1-7H3