2-Methylbenzenesulfonic acid hydrate
  -molcms-05182606132D

 12 11  0  0  0  0  0  0  0  0999 V2000
    3.0000    1.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    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  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  2  2  0  0  0  0
  7  8  1  0  0  0  0
  1  9  2  0  0  0  0
  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
M  END
>  <ProductName>
2-Methylbenzenesulfonic acid hydrate

>  <CASNumber>
1914148-59-6

>  <MolecularFormula>
C7H10O4S

>  <MDLNo>
MFCD29916813

>  <MolWt>
190.22

>  <BoilingPoint>
No date available

>  <MeltingPoint>
No date available

>  <MolFile>


>  <Smiles>
S(C1C=CC=CC=1C)(=O)(=O)O.O

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