(3,5-dimethylphenyl) 5-bromanylpentanoate

Systemtic Name: (3,5-dimethylphenyl) 5-bromanylpentanoate Openeye Name: (3,5-dimethylphenyl) 5-bromopentanoate CAS Name: 5-bromopentanoic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 5-bromopentanoate Traditional Name: 5-bromovaleric acid (3,5-dimethylphenyl) ester Formula: C13H17BrO2 MolecularWeight: 285.17688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC(=O)CCCCBr)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC(=O)CCCCBr)C

InChI

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