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Oksolin 1,2,3,4-naphthalenetetrone
Oksolin
1,2,3,4-naphthalenetetrone ID: BBC/349
CAS:30266-58-1
Supplier:Aronis

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SMILES:c1(=O)c(=O)c(=O)c2c(c1=O)cccc2	
FORMULA: C10H4O4
MASS: 188.1364
EXACT MASS: 188.0109586
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.3292     0.0000 
   C   3    1.3380     2.3061     0.0000 
   C   4    2.3133     1.3422     2.6625     0.0000 
   C   5    2.6714     2.3125     2.3071     1.3272     0.0000 
   C   6    2.3125     2.6673     1.3272     2.3071     1.3375     0.0000 
   O   7    2.2999     1.3272     3.5203     2.3125     3.5238     3.9945 
   O   8    1.3277     2.3050     2.3083     3.5301     3.9991     3.5228 
   O   9    3.5263     2.3133     3.9917     1.3292     2.2999     3.5222 
   O  10    2.3097     3.5224     1.3333     3.9958     3.5261     2.3034 
   C  11    3.5187     3.9914     2.2917     3.5192     2.3101     1.3242 
   C  12    3.9945     3.5253     3.5121     2.3000     1.3231     2.2999 
   C  13    4.7922     4.6042     3.9765     3.5065     2.2917     2.6493 
   C  14    4.6042     4.7922     3.5049     3.9806     2.6534     2.2917 

              O   7      O   8      O   9      O  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   O   8    2.6625     0.0000 
   O   9    2.6714     4.6183     0.0000 
   O  10    4.6095     2.6616     5.3250     0.0000 
   C  11    5.3186     4.6000     4.6100     2.6472     0.0000 
   C  12    4.6125     5.3222     2.6606     4.6033     2.6625     0.0000 
   C  13    5.7922     6.0879     3.9806     4.7855     2.3071     1.3200 
   C  14    6.0891     5.7890     4.7884     3.9785     1.3313     2.2957 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    1.3292     0.0000 



ATOMIC CHARGES
   C   1    0.2759504600
   C   2    0.2759504600
   C   3    0.2376371458
   C   4    0.2376371458
   C   5    0.0455108978
   C   6    0.0455108978
   O   7   -0.2795696044
   O   8   -0.2795696044
   O   9   -0.2830255518
   O  10   -0.2830255518
   C  11    0.0033910705
   C  12    0.0033910705
   C  13    0.0001055822
   C  14    0.0001055822


BOND ANGLES
   2    1    3  Car  Car  Car    119.678
   2    1    8  Car  Car   O2    120.347
   3    1    8  Car  Car   O2    119.975
   1    2    4  Car  Car  Car    119.986
   1    2    7  Car  Car   O2    119.946
   4    2    7  Car  Car   O2    120.068
   1    3    6  Car  Car  Car    120.376
   1    3   10  Car  Car   O2    119.678
   6    3   10  Car  Car   O2    119.946
   2    4    9  Car  Car   O2    119.986
   2    4    5  Car  Car  Car    120.068
   5    4    9  Car  Car   O2    119.946
   6    5   12  Car  Car  Car    119.634
   4    5    6  Car  Car  Car    119.946
   4    5   12  Car  Car  Car    120.420
   3    6    5  Car  Car  Car    119.946
   5    6   11  Car  Car  Car    120.436
   3    6   11  Car  Car  Car    119.618
   6   11   14  Car  Car  Car    119.309
   5   12   13  Car  Car  Car    120.240
  12   13   14  Car  Car  Car    120.126
  11   14   13  Car  Car  Car    120.255


TORSION ANGLES
   4    2    1    3      0.026
   4    2    1    8    179.974
   7    2    1    3    179.974
   7    2    1    8      0.026
   6    3    1    2      0.026
   6    3    1    8    179.974
  10    3    1    2    179.974
  10    3    1    8      0.026
   9    4    2    1    179.974
   9    4    2    7      0.026
   5    4    2    1      0.026
   5    4    2    7    179.974
  12    5    6    3    179.974
  12    5    6   11      0.026
   4    5    6    3      0.026
   4    5    6   11    179.974
   5    6    3    1      0.026
   5    6    3   10    179.974
  11    6    3    1    179.974
  11    6    3   10      0.026
  14   11    6    5      0.026
  14   11    6    3    179.974
  13   12    5    6      0.026
  13   12    5    4    179.974
  14   13   12    5      0.026
  13   14   11    6      0.026
   2    4    5    6      0.026
   2    4    5   12    179.974
   9    4    5    6    179.974
   9    4    5   12      0.026
  12   13   14   11      0.026