methyl 4-[4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)butanoyloxy]benzoate

Systemtic Name: methyl 4-[4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)butanoyloxy]benzoate Openeye Name: methyl 4-[4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butanoyloxy]benzoate CAS Name: 4-[4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-1-oxobutoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoyloxy]benzoate Traditional Name: 4-[4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butanoyloxy]benzoic acid methyl ester Formula: C20H20BrClO5 MolecularWeight: 455.7268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrClO5/c1-12-11-16(18(21)13(2)19(12)22)26-10-4-5-17(23)27-15-8-6-14(7-9-15)20(24)25-3/h6-9,11H,4-5,10H2,1-3H3