4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)butanoate

Systemtic Name: 4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)butanoate Openeye Name: 4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butanoate CAS Name: 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoate IUPAC Name: 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoate Traditional Name: 4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butyrate Formula: C12H13BrClO3- MolecularWeight: 320.58682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1Cl)C)Br)OCCCC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1Cl)C)Br)OCCCC(=O)[O-]

InChI

InChI=1S/C12H14BrClO3/c1-7-6-9(11(13)8(2)12(7)14)17-5-3-4-10(15)16/h6H,3-5H2,1-2H3,(H,15,16)/p-1