5-Oxo-1-(4-sulfophenyl)-2,5-dihydro-1H-pyrazole-3-carboxylic acid
  -molcms-05162622342D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.2433    2.0823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3479    1.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5388    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5388   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5878    0.8090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    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
   -2.5000   -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
   -4.0000    0.0000    0.0000 S   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
   -4.0000    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0000    0.0000    0.0000 O   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
    0.5878   -0.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2788   -1.7601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2614    0.6810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  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 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  7  1  0  0  0  0
  6 17  1  0  0  0  0
 17  4  1  0  0  0  0
 17 18  2  0  0  0  0
  2 19  1  0  0  0  0
M  END
>  <ProductName>
5-Oxo-1-(4-sulfophenyl)-2,5-dihydro-1H-pyrazole-3-carboxylic acid

>  <CASNumber>
118-47-8

>  <MolecularFormula>
C10H8N2O6S

>  <MDLNo>


>  <MolWt>
284.25

>  <BoilingPoint>
��Cat760mmHg

>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
O=C(C(C1)=NN(C2=CC=C(S(=O)(O)=O)C=C2)C1=O)O

$$$$
