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

Systemtic Name: (4-bromanyl-2,6-dimethyl-phenyl) pentanoate Openeye Name: (4-bromo-2,6-dimethyl-phenyl) pentanoate CAS Name: pentanoic acid (4-bromo-2,6-dimethylphenyl) ester IUPAC Name: (4-bromo-2,6-dimethylphenyl) pentanoate Traditional Name: valeric acid (4-bromo-2,6-dimethyl-phenyl) ester Formula: C13H17BrO2 MolecularWeight: 285.17688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=C(C=C(C=C1C)Br)C

Isomeric SMILES

CCCCC(=O)OC1=C(C=C(C=C1C)Br)C

InChI

InChI=1S/C13H17BrO2/c1-4-5-6-12(15)16-13-9(2)7-11(14)8-10(13)3/h7-8H,4-6H2,1-3H3