-ISIS-  08091621332D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.4333    1.4083    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1958   -1.5667    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4333    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5417    1.3958    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.6708   -0.6917    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.4000    1.4083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    2.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083   -2.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583   -2.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167   -1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542    0.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  2  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
 10  2  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  2  2  0  0  0  0
 14  2  2  0  0  0  0
 15  6  2  0  0  0  0
 16  7  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
  4  8  2  0  0  0  0
 16 18  1  0  0  0  0
M  CHG  2   9  -1  10  -1
M  END
>  <ID> (BBL000699)
BBL000699

>  <SALTDATA> (BBL000699)
2K+

>  <Rotatable_Bonds> (BBL000699)
1

>  <logP> (BBL000699)
0.232

>  <PSA> (BBL000699)
151.39

>  <H_Donors> (BBL000699)
1

>  <H_Acceptors> (BBL000699)
7

>  <Number_of_rings> (BBL000699)
2

>  <NAME> (BBL000699)
7-hydroxynaphthalene-1,3-disulfonate

>  <Mol_Weight> (BBL000699)
302.29

>  <Mol_Formula> (BBL000699)
C10H6O7S2

>  <Smiles> (BBL000699)
Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-]

>  <Alternative_identifier> (BBL000699)
MFCD01026123

$$$$