(4-propylphenyl) 4-(4-chloranyl-3,5-dimethyl-phenoxy)butanoate

Systemtic Name: (4-propylphenyl) 4-(4-chloranyl-3,5-dimethyl-phenoxy)butanoate Openeye Name: (4-propylphenyl) 4-(4-chloro-3,5-dimethyl-phenoxy)butanoate CAS Name: 4-(4-chloro-3,5-dimethylphenoxy)butanoic acid (4-propylphenyl) ester IUPAC Name: (4-propylphenyl) 4-(4-chloro-3,5-dimethylphenoxy)butanoate Traditional Name: 4-(4-chloro-3,5-dimethyl-phenoxy)butyric acid (4-propylphenyl) ester Formula: C21H25ClO3 MolecularWeight: 360.8744

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OC(=O)CCCOC2=CC(=C(C(=C2)C)Cl)C

Isomeric SMILES

CCCC1=CC=C(C=C1)OC(=O)CCCOC2=CC(=C(C(=C2)C)Cl)C

InChI

InChI=1S/C21H25ClO3/c1-4-6-17-8-10-18(11-9-17)25-20(23)7-5-12-24-19-13-15(2)21(22)16(3)14-19/h8-11,13-14H,4-7,12H2,1-3H3