(3,5-dimethylphenyl) 5-chloranylpentanoate

Systemtic Name: (3,5-dimethylphenyl) 5-chloranylpentanoate Openeye Name: (3,5-dimethylphenyl) 5-chloropentanoate CAS Name: 5-chloropentanoic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 5-chloropentanoate Traditional Name: 5-chlorovaleric acid (3,5-dimethylphenyl) ester Formula: C13H17ClO2 MolecularWeight: 240.72588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClO2/c1-10-7-11(2)9-12(8-10)16-13(15)5-3-4-6-14/h7-9H,3-6H2,1-2H3