(2-bromanyl-4-butan-2-yl-phenyl) 3-iodanyl-4-methoxy-benzoate

Systemtic Name: (2-bromanyl-4-butan-2-yl-phenyl) 3-iodanyl-4-methoxy-benzoate Openeye Name: (2-bromo-4-sec-butyl-phenyl) 3-iodo-4-methoxy-benzoate CAS Name: 3-iodo-4-methoxybenzoic acid (2-bromo-4-butan-2-ylphenyl) ester IUPAC Name: (2-bromo-4-butan-2-ylphenyl) 3-iodo-4-methoxybenzoate Traditional Name: 3-iodo-4-methoxy-benzoic acid (2-bromo-4-sec-butyl-phenyl) ester Formula: C18H18BrIO3 MolecularWeight: 489.14219

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC)I)Br

Isomeric SMILES

CCC(C)C1=CC(=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC)I)Br

InChI

InChI=1S/C18H18BrIO3/c1-4-11(2)12-5-7-16(14(19)9-12)23-18(21)13-6-8-17(22-3)15(20)10-13/h5-11H,4H2,1-3H3