(3,5-dimethylphenyl) 3-bromanyl-4-hexoxy-benzoate

Systemtic Name: (3,5-dimethylphenyl) 3-bromanyl-4-hexoxy-benzoate Openeye Name: (3,5-dimethylphenyl) 3-bromo-4-hexoxy-benzoate CAS Name: 3-bromo-4-hexoxybenzoic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 3-bromo-4-hexoxybenzoate Traditional Name: 3-bromo-4-hexoxy-benzoic acid (3,5-dimethylphenyl) ester Formula: C21H25BrO3 MolecularWeight: 405.3254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC(=CC(=C2)C)C)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC(=CC(=C2)C)C)Br

InChI

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