-ISIS-  08091621332D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0208   -0.0042    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8542   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4917    0.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5250   -0.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8542   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7167   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5792   -1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7167   -2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5792   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4542   -2.0250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4500    2.0292    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  1  2  0  0  0  0
  5  1  2  0  0  0  0
  6  3  2  0  0  0  0
  7  3  1  0  0  0  0
  8  2  2  0  0  0  0
  9  2  1  0  0  0  0
 10 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12  7  2  0  0  0  0
 13  8  1  0  0  0  0
 14  6  1  0  0  0  0
 15  9  2  0  0  0  0
 16 11  1  0  0  0  0
 17 10  1  0  0  0  0
 10 14  2  0  0  0  0
 13 11  2  0  0  0  0
M  END
>  <ID> (BBL000098)
BBL000098

>  <Rotatable_Bonds> (BBL000098)
0

>  <logP> (BBL000098)
4.204

>  <PSA> (BBL000098)
42.52

>  <H_Donors> (BBL000098)
0

>  <H_Acceptors> (BBL000098)
2

>  <Number_of_rings> (BBL000098)
2

>  <NAME> (BBL000098)
1,1'-sulfonylbis(4-chlorobenzene)

>  <Mol_Weight> (BBL000098)
287.17

>  <Mol_Formula> (BBL000098)
C12H8Cl2O2S

>  <Smiles> (BBL000098)
Clc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl

>  <CAS_Number> (BBL000098)
80-07-9

>  <Alternative_identifier> (BBL000098)
MFCD00000619

$$$$