8-Ethoxyquinoline-5-sulfonic acid hydrate
  -molcms-05222607222D

 18 18  0  0  0  0  0  0  0  0999 V2000
    5.5000    1.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    2.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    3.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.7321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11  6  2  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  1 15  2  0  0  0  0
  1 16  2  0  0  0  0
  1 17  1  0  0  0  0
M  END
>  <ProductName>
8-Ethoxyquinoline-5-sulfonic acid hydrate

>  <CASNumber>
2301848-76-8

>  <MolecularFormula>
C11H13NO5S

>  <MDLNo>
MFCD09953679

>  <MolWt>
271.29

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
S(C1=CC=C(C2C1=CC=CN=2)OCC)(=O)(=O)O.O

$$$$