[4-(3-chloranylpropanoyl)-2,6-dimethyl-phenyl] ethanoate

Systemtic Name: [4-(3-chloranylpropanoyl)-2,6-dimethyl-phenyl] ethanoate Openeye Name: [4-(3-chloropropanoyl)-2,6-dimethyl-phenyl] acetate CAS Name: acetic acid [4-(3-chloro-1-oxopropyl)-2,6-dimethylphenyl] ester IUPAC Name: [4-(3-chloropropanoyl)-2,6-dimethylphenyl] acetate Traditional Name: acetic acid [4-(3-chloropropanoyl)-2,6-dimethyl-phenyl] ester Formula: C13H15ClO3 MolecularWeight: 254.7094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C)C)C(=O)CCCl

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C)C)C(=O)CCCl

InChI

InChI=1S/C13H15ClO3/c1-8-6-11(12(16)4-5-14)7-9(2)13(8)17-10(3)15/h6-7H,4-5H2,1-3H3