(4-bromanyl-2,6-dimethyl-phenyl) 4-hexoxybenzoate

Systemtic Name: (4-bromanyl-2,6-dimethyl-phenyl) 4-hexoxybenzoate Openeye Name: (4-bromo-2,6-dimethyl-phenyl) 4-hexoxybenzoate CAS Name: 4-hexoxybenzoic acid (4-bromo-2,6-dimethylphenyl) ester IUPAC Name: (4-bromo-2,6-dimethylphenyl) 4-hexoxybenzoate Traditional Name: 4-hexoxybenzoic acid (4-bromo-2,6-dimethyl-phenyl) ester Formula: C21H25BrO3 MolecularWeight: 405.3254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2C)Br)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2C)Br)C

InChI

InChI=1S/C21H25BrO3/c1-4-5-6-7-12-24-19-10-8-17(9-11-19)21(23)25-20-15(2)13-18(22)14-16(20)3/h8-11,13-14H,4-7,12H2,1-3H3