[4-(bromomethyl)-2,6-dimethyl-phenyl] butanoate

Systemtic Name: [4-(bromomethyl)-2,6-dimethyl-phenyl] butanoate Openeye Name: [4-(bromomethyl)-2,6-dimethyl-phenyl] butanoate CAS Name: butanoic acid [4-(bromomethyl)-2,6-dimethylphenyl] ester IUPAC Name: [4-(bromomethyl)-2,6-dimethylphenyl] butanoate Traditional Name: butyric acid [4-(bromomethyl)-2,6-dimethyl-phenyl] ester Formula: C13H17BrO2 MolecularWeight: 285.17688

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C=C(C=C1C)CBr)C

Isomeric SMILES

CCCC(=O)OC1=C(C=C(C=C1C)CBr)C

InChI

InChI=1S/C13H17BrO2/c1-4-5-12(15)16-13-9(2)6-11(8-14)7-10(13)3/h6-7H,4-5,8H2,1-3H3