(4-bromanyl-2-tert-butyl-phenyl) 4-(3-methylbutoxy)benzoate

Systemtic Name: (4-bromanyl-2-tert-butyl-phenyl) 4-(3-methylbutoxy)benzoate Openeye Name: (4-bromo-2-tert-butyl-phenyl) 4-isopentyloxybenzoate CAS Name: 4-(3-methylbutoxy)benzoic acid (4-bromo-2-tert-butylphenyl) ester IUPAC Name: (4-bromo-2-tert-butylphenyl) 4-(3-methylbutoxy)benzoate Traditional Name: 4-isoamoxybenzoic acid (4-bromo-2-tert-butyl-phenyl) ester Formula: C22H27BrO3 MolecularWeight: 419.35198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C(C)(C)C

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C(C)(C)C

InChI

InChI=1S/C22H27BrO3/c1-15(2)12-13-25-18-9-6-16(7-10-18)21(24)26-20-11-8-17(23)14-19(20)22(3,4)5/h6-11,14-15H,12-13H2,1-5H3