(4-iodophenyl) 3-bromanyl-4-butoxy-benzoate

Systemtic Name: (4-iodophenyl) 3-bromanyl-4-butoxy-benzoate Openeye Name: (4-iodophenyl) 3-bromo-4-butoxy-benzoate CAS Name: 3-bromo-4-butoxybenzoic acid (4-iodophenyl) ester IUPAC Name: (4-iodophenyl) 3-bromo-4-butoxybenzoate Traditional Name: 3-bromo-4-butoxy-benzoic acid (4-iodophenyl) ester Formula: C17H16BrIO3 MolecularWeight: 475.11561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)I)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)I)Br

InChI

InChI=1S/C17H16BrIO3/c1-2-3-10-21-16-9-4-12(11-15(16)18)17(20)22-14-7-5-13(19)6-8-14/h4-9,11H,2-3,10H2,1H3