Mol:PR100468

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PR100468.png

 
  ACD/Labs08070914132D 
 
 24 27  0  0  0  0  0  0  0  0  2 V2000 
   17.8346   -8.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   18.6644   -7.7090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   18.6644   -6.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.8346   -6.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.0049   -6.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.0049   -7.7090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   19.4941   -8.1880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   20.3238   -7.7090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.3238   -6.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   19.4941   -6.2718    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0 
   21.1536   -8.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   21.9833   -7.7090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   21.9833   -6.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   21.1536   -6.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   16.1751   -8.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   16.1751   -6.2718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   19.4941   -5.3137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   22.8131   -6.2718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   22.8131   -8.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.3238   -4.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.3238   -3.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   19.4941   -3.3975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   18.6644   -3.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   18.6644   -4.8346    0.0000 C   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  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  2  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  3  1  0  0  0  0 
  8 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14  9  1  0  0  0  0 
  6 15  1  0  0  0  0 
  5 16  1  0  0  0  0 
 10 17  1  0  0  0  0 
 13 18  1  0  0  0  0 
 12 19  1  0  0  0  0 
 17 20  2  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 24 17  1  0  0  0  0 
M  CHG  1  10   1 
S  SKP  7 
CAS_RN	7006-08-8 
NAME	Safranine 
ID	PR100468 
FORMULA	C20H19N4 
EXACTMASS	315.160971628 
AVERAGEMASS	315.39182000000005 
SMILES	c(c4)ccc(c4)[n+1](c21)c(c3)c(cc(C)c(N)3)nc(cc(C)c(N)c2)1 
M  END
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