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N-Hydroxysulfosuccinimide sodium salt
N-Hydroxysulfosuccinimide sodium salt ID: API-28668
CAS:106627-54-7
Supplier:APIchem

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SMILES:S(=O)(=O)([O-])C1CC(=O)N(O)C1=O.[Na+]	ChemMol.com
FORMULA: C4H4NNaO6S
MASS: 217.1324
EXACT MASS: 216.9657021
INTERATOMIC DISTANCES

              S   1     Na   2      O   3      O   4      O   5      O   6
              ------------------------------------------------------------------
   S   1    0.0000 
  Na   2    1.7321     0.0000 
   O   3    1.0001     1.0000     0.0000 
   O   4    1.0000     1.5059     1.4142     0.0000 
   O   5    0.9999     2.3941     1.4142     1.9999     0.0000 
   O   6    2.1755     3.8233     2.8793     3.0418     1.4876     0.0000 
   O   7    3.5201     5.2267     4.4819     3.9455     3.3490     2.1756 
   O   8    3.5201     4.8529     4.4819     3.3490     3.9455     3.5202 
   N   9    2.5876     4.2636     3.5740     2.9488     2.5876     1.7820 
   C  10    1.0000     2.6458     2.0001     1.4142     1.4142     1.7820 
   C  11    1.7820     3.0883     2.7114     1.5992     2.4070     2.5876 
   C  12    1.7819     3.5128     2.7113     2.4069     1.5992     1.0000 
   C  13    2.5876     4.0553     3.5740     2.5876     2.9488     2.5876 
   H  14    0.9063     2.6332     1.8052     1.7107     0.8465     1.3312 
   H  15    1.5351     2.5634     2.3363     1.0576     2.3653     2.8881 
   H  16    2.2973     3.3786     3.1556     1.8779     3.0047     3.1853 
   H  17    4.0024     5.6753     4.9848     4.3232     3.9177     2.7929 

              O   7      O   8      N   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   O   8    2.1756     0.0000 
   N   9    1.0000     1.7820     0.0000 
   C  10    2.5876     2.5876     1.6180     0.0000 
   C  11    2.5876     1.7820     1.6180     1.0000     0.0000 
   C  12    1.7820     2.5876     1.0000     0.9999     1.6180     0.0000 
   C  13    1.7820     1.0000     1.0000     1.6180     0.9999     1.6180 
   H  14    2.6832     3.0990     1.8210     0.6200     1.6153     0.9063 
   H  15    3.1853     2.2972     2.1989     1.1202     0.6200     2.0014 
   H  16    2.8881     1.5350     2.0014     1.6117     0.6200     2.1989 
   H  17    0.6200     2.0051     1.4158     3.0316     2.8490     2.3266 

              C  13      H  14      H  15      H  16      H  17
              -------------------------------------------------------
   C  13    0.0000 
   H  14    2.1026     0.0000 
   H  15    1.6116     1.7042     0.0000 
   H  16    1.1201     2.2304     0.8298     0.0000 
   H  17    1.9172     3.2082     3.4669     3.0317     0.0000 



ATOMIC CHARGES
   S   1    0.0000000000
  Na   2    0.0000000000
   O   3   -1.0000000000
   O   4    0.0000000000
   O   5    0.0000000000
   O   6    0.0000000000
   O   7    0.0000000000
   O   8    0.0000000000
   N   9    0.0000000000
   C  10    0.0000000000
   C  11    0.0000000000
   C  12    0.0000000000
   C  13    0.0000000000
   H  14    0.0000000000
   H  15    0.0000000000
   H  16    0.0000000000
   H  17    0.0000000000


BOND ANGLES
   3    1    4   O-  Sac   O2     89.997
   3    1    5   O-  Sac   O2     89.999
   3    1   10   O-  Sac   C3    179.974
   4    1    5   O2  Sac   O2    179.974
   4    1   10   O2  Sac   C3     90.000
   5    1   10   O2  Sac   C3     90.005
   9    7   17  Nam   O3   HO    120.002
   7    9   12   O3  Nam   C2    126.001
   7    9   13   O3  Nam   C2    126.001
  12    9   13   C2  Nam   C2    107.997
   1   10   11  Sac   C3   C3    126.001
   1   10   12  Sac   C3   C2    125.999
   1   10   14  Sac   C3   HC     62.999
  11   10   12   C3   C3   C2    108.000
  11   10   14   C3   C3   HC    171.000
  12   10   14   C2   C3   HC     62.999
  10   11   13   C3   C3   C2    108.000
  10   11   15   C3   C3   HC     84.001
  10   11   16   C3   C3   HC    168.001
  13   11   15   C2   C3   HC    167.999
  13   11   16   C2   C3   HC     83.999
  15   11   16   HC   C3   HC     84.001
   6   12    9   O2   C2  Nam    126.000
   6   12   10   O2   C2   C3    125.998
   9   12   10  Nam   C2   C3    108.001
   8   13    9   O2   C2  Nam    126.000
   8   13   11   O2   C2   C3    125.998
   9   13   11  Nam   C2   C3    108.001


TORSION ANGLES
   3    1   10   11      0.026
   3    1   10   12    179.974
   3    1   10   14    179.974
   4    1   10   11      0.026
   4    1   10   12    179.974
   4    1   10   14    179.974
   5    1   10   11    179.974
   5    1   10   12      0.026
   5    1   10   14      0.026
  17    7    9   12    179.974
  17    7    9   13      0.026
   7    9   12    6      0.026
   7    9   12   10    179.974
  13    9   12    6    179.974
  13    9   12   10      0.026
   7    9   13    8      0.026
   7    9   13   11    179.974
  12    9   13    8    179.974
  12    9   13   11      0.026
   1   10   11   13    179.974
   1   10   11   15      0.026
   1   10   11   16      0.026
  12   10   11   13      0.026
  12   10   11   15    179.974
  12   10   11   16    179.974
  14   10   11   13      0.026
  14   10   11   15    179.974
  14   10   11   16    179.974
   1   10   12    6      0.026
   1   10   12    9    179.974
  11   10   12    6    179.974
  11   10   12    9      0.026
  14   10   12    6      0.026
  14   10   12    9    179.974
  10   11   13    8    179.974
  10   11   13    9      0.026
  15   11   13    8      0.026
  15   11   13    9    179.974
  16   11   13    8      0.026
  16   11   13    9    179.974


CHIRAL ATOMS
  16   11   13    9    179.974