(3-chloranyl-4-methyl-phenyl) 3-bromanyl-4-(2-methylpropoxy)benzoate

Systemtic Name: (3-chloranyl-4-methyl-phenyl) 3-bromanyl-4-(2-methylpropoxy)benzoate Openeye Name: (3-chloro-4-methyl-phenyl) 3-bromo-4-isobutoxy-benzoate CAS Name: 3-bromo-4-(2-methylpropoxy)benzoic acid (3-chloro-4-methylphenyl) ester IUPAC Name: (3-chloro-4-methylphenyl) 3-bromo-4-(2-methylpropoxy)benzoate Traditional Name: 3-bromo-4-isobutoxy-benzoic acid (3-chloro-4-methyl-phenyl) ester Formula: C18H18BrClO3 MolecularWeight: 397.69072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrClO3/c1-11(2)10-22-17-7-5-13(8-15(17)19)18(21)23-14-6-4-12(3)16(20)9-14/h4-9,11H,10H2,1-3H3