(3-chloranyl-4-methyl-phenyl) 5-bromanyl-2-phenethyloxy-benzoate

Systemtic Name: (3-chloranyl-4-methyl-phenyl) 5-bromanyl-2-phenethyloxy-benzoate Openeye Name: (3-chloro-4-methyl-phenyl) 5-bromo-2-phenethyloxy-benzoate CAS Name: 5-bromo-2-phenethyloxybenzoic acid (3-chloro-4-methylphenyl) ester IUPAC Name: (3-chloro-4-methylphenyl) 5-bromo-2-phenethyloxybenzoate Traditional Name: 5-bromo-2-phenethyloxy-benzoic acid (3-chloro-4-methyl-phenyl) ester Formula: C22H18BrClO3 MolecularWeight: 445.73352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H18BrClO3/c1-15-7-9-18(14-20(15)24)27-22(25)19-13-17(23)8-10-21(19)26-12-11-16-5-3-2-4-6-16/h2-10,13-14H,11-12H2,1H3