-ISIS-  08091621332D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.8625   -0.0208    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8625    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8333   -2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8333   -0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7208   -1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250   -0.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7208   -0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -2.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875    0.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8333   -2.9833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875    2.9875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5833    0.0208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9208    2.9875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  4  2  0  0  0  0
  7  5  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12  1  2  0  0  0  0
 13  9  2  0  0  0  0
 14  8  1  0  0  0  0
 15  5  1  0  0  0  0
 16  4  1  0  0  0  0
 17  7  1  0  0  0  0
 18  6  1  0  0  0  0
 19 13  1  0  0  0  0
 20 14  1  0  0  0  0
  7 10  2  0  0  0  0
 11  6  1  0  0  0  0
M  END
>  <ID> (BBL000672)
BBL000672

>  <Rotatable_Bonds> (BBL000672)
4

>  <logP> (BBL000672)
3.612

>  <PSA> (BBL000672)
76.74

>  <H_Donors> (BBL000672)
2

>  <H_Acceptors> (BBL000672)
3

>  <Number_of_rings> (BBL000672)
2

>  <NAME> (BBL000672)
2,2'-sulfinylbis(4,6-dichlorophenol)

>  <Mol_Weight> (BBL000672)
372.05

>  <Mol_Formula> (BBL000672)
C12H6Cl4O3S

>  <Smiles> (BBL000672)
Clc1cc(Cl)c(c(c1)S(=O)c1cc(Cl)cc(c1O)Cl)O

>  <CAS_Number> (BBL000672)
844-26-8

>  <Alternative_identifier> (BBL000672)
MFCD00056677

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