4-(4-chloranyl-2,6-dimethyl-phenoxy)butanoate

Systemtic Name: 4-(4-chloranyl-2,6-dimethyl-phenoxy)butanoate Openeye Name: 4-(4-chloro-2,6-dimethyl-phenoxy)butanoate CAS Name: 4-(4-chloro-2,6-dimethylphenoxy)butanoate IUPAC Name: 4-(4-chloro-2,6-dimethylphenoxy)butanoate Traditional Name: 4-(4-chloro-2,6-dimethyl-phenoxy)butyrate Formula: C12H14ClO3- MolecularWeight: 241.69076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCCC(=O)[O-])C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OCCCC(=O)[O-])C)Cl

InChI

InChI=1S/C12H15ClO3/c1-8-6-10(13)7-9(2)12(8)16-5-3-4-11(14)15/h6-7H,3-5H2,1-2H3,(H,14,15)/p-1