4-Butoxy-3-iodobenzoic acid
  -molcms-05312618472D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -4.0000    1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.7321    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  7 15  1  0  0  0  0
M  END
>  <ProductName>
4-Butoxy-3-iodobenzoic acid

>  <CASNumber>
1131614-07-7

>  <MolecularFormula>
C11H13O3I

>  <MDLNo>


>  <MolWt>
320.12

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
CCCCOC1=C(C=C(C=C1)C(=O)O)I

$$$$