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

Systemtic Name: phenyl 4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)butanoate Openeye Name: phenyl 4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butanoate CAS Name: 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoic acid phenyl ester IUPAC Name: phenyl 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoate Traditional Name: 4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butyric acid phenyl ester Formula: C18H18BrClO3 MolecularWeight: 397.69072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1Cl)C)Br)OCCCC(=O)OC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C(=C1Cl)C)Br)OCCCC(=O)OC2=CC=CC=C2

InChI

InChI=1S/C18H18BrClO3/c1-12-11-15(17(19)13(2)18(12)20)22-10-6-9-16(21)23-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10H2,1-2H3