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

Systemtic Name: methyl 4-(4-chloranyl-3,5-dimethyl-phenoxy)butanoate Openeye Name: methyl 4-(4-chloro-3,5-dimethyl-phenoxy)butanoate CAS Name: 4-(4-chloro-3,5-dimethylphenoxy)butanoic acid methyl ester IUPAC Name: methyl 4-(4-chloro-3,5-dimethylphenoxy)butanoate Traditional Name: 4-(4-chloro-3,5-dimethyl-phenoxy)butyric acid methyl ester Formula: C13H17ClO3 MolecularWeight: 256.72528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCCCC(=O)OC

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCCCC(=O)OC

InChI

InChI=1S/C13H17ClO3/c1-9-7-11(8-10(2)13(9)14)17-6-4-5-12(15)16-3/h7-8H,4-6H2,1-3H3