
  -ISIS-  11270914432D

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    1.7125    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4542    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5417    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9  8  1  0  0  0  0
M  END
> <product.code> (S0271)  
S0271

> <IUPAC.name> (S0271)  
2-Methyl-1-benzothiophene

> <CAS.no> (S0271)  
1195-14-8

> <categories> (S0271)  
HC; BT

> <other.names> (S0271)  
2-Methylthianaphthene


> <publish> (S0271)  
true

$$$$

  -ISIS-  11270914432D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 19 17  2  0  0  0  0
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  3  5  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <product.code> (S1548)  
S1548

> <IUPAC.name> (S1548)  
benzoic acid, 2-amino-4-(1-benzothiophen-2-yl)-

> <CAS.no> (S1548)  
948006-12-0

> <categories> (S1548)  
AC; AM; BT

> <publish> (S1548)  
true

$$$$

  -ISIS-  11270914432D

 13 14  0  0  0  0  0  0  0  0999 V2000
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    4.6167   -5.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6167   -6.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -5.3292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 10  7  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13  6  1  0  0  0  0
  5  4  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
> <product.code> (S2098)  
S2098

> <IUPAC.name> (S2098)  
1-(5-fluoro-1-benzothien-3-yl)ethanone

> <CAS.no> (S2098)  
187658-19-1

> <categories> (S2098)  
AK; FL; HC; BT

> <publish> (S2098)  
true

$$$$

  -ISIS-  11270914432D

 15 16  0  0  0  0  0  0  0  0999 V2000
    6.6917   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -6.1667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4167   -5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -5.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -4.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7000   -6.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -5.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5167   -6.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9292   -7.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
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 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
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 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  1  0  0  0  0
  4  5  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
> <product.code> (S2104)  
S2104

> <IUPAC.name> (S2104)  
ethyl 5-fluoro-1-benzothiophene-2-carboxylate

> <CAS.no> (S2104)  
154630-32-7

> <categories> (S2104)  
AC; FL; HC; BT

> <publish> (S2104)  
true

$$$$

  -ISIS-  11270914432D

 13 14  0  0  0  0  0  0  0  0999 V2000
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    5.4167   -5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5167   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -5.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9292   -5.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -6.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9875   -6.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
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 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
  4  5  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
> <product.code> (S2105)  
S2105

> <IUPAC.name> (S2105)  
5-fluoro-1-benzothiophene-2-carboxylic acid

> <CAS.no> (S2105)  
70060-13-8

> <categories> (S2105)  
AC; FL; HC; BT

> <publish> (S2105)  
true

$$$$

