Mol:PR100883

 
  ACD/Labs08070915022D 
 
 23 23  0  0  1  0  0  0  0  0  1 V2000 
   19.5019   -6.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   18.8192   -6.9202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   19.4916   -5.6720    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
   20.1847   -6.9237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   18.8192   -7.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   19.4950   -4.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.1812   -7.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.8640   -6.5340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   19.4985   -8.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   18.1295   -8.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.1778   -4.4857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   18.7467   -4.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.8605   -8.1099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   19.4916   -8.8961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   17.4467   -7.7271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   21.4500   -3.5855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   17.9950   -4.8789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   22.1879   -4.1441    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
   17.2467   -4.4478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   22.8258   -3.4200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   21.5327   -4.8269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   22.9638   -4.6269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   16.3853   -5.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  1  3  1  1  0  0  0 
  1  4  1  0  0  0  0 
  2  5  1  0  0  0  0 
  3  6  1  0  0  0  0 
  4  7  1  0  0  0  0 
  4  8  1  6  0  0  0 
  5  9  1  0  0  0  0 
  5 10  1  1  0  0  0 
  6 11  2  0  0  0  0 
  6 12  1  0  0  0  0 
  7 13  1  1  0  0  0 
  9 14  1  6  0  0  0 
 10 15  1  0  0  0  0 
 11 16  1  0  0  0  0 
 12 17  1  0  0  0  0 
 16 18  1  0  0  0  0 
 17 19  1  0  0  0  0 
 18 20  2  0  0  0  0 
 18 21  2  0  0  0  0 
 18 22  1  0  0  0  0 
 19 23  2  0  0  0  0 
  7  9  1  0  0  0  0 
PR100883n.mol:cas nothing 
S  SKP  5 
ID	PR100883 
FORMULA	C11H19NO9S2 
EXACTMASS	373.050122591 
AVERAGEMASS	373.4019 
SMILES	C=CCCC(=NOS(O)(=O)=O)SC(O1)C(O)C(O)C(O)C(CO)1 
M  END