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(1R)-(-)-10-Camphorsulfonic acid
(1R)-(-)-10-Camphorsulfonic acid
ID: BP-12214
CAS:35963-20-3
Supplier:BroadPharm

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SMILES:[C@@]12(C(C(CC1=O)CC2)(C)C)CS(=O)(=O)O	
FORMULA: C10H16O4S
MASS: 232.2966
EXACT MASS: 232.0769300
INTERATOMIC DISTANCES

              C   1      S   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   S   2    2.1625     0.0000 
   C   3    1.2497     3.3431     0.0000 
   C   4    0.9351     2.6749     1.5691     0.0000 
   C   5    1.2507     1.2471     2.2281     2.0773     0.0000 
   C   6    2.0078     4.1489     1.2302     1.6592     3.2190     0.0000 
   C   7    1.2488     2.6102     2.0197     0.4509     2.2282     2.0155 
   C   8    1.6875     3.6283     1.5875     0.9572     2.9285     0.9399 
   O   9    1.8809     1.2508     3.1163     1.9216     1.7677     3.5694 
   O  10    2.9906     1.2507     3.9710     3.7075     1.7647     4.9815 
   C  11    2.0035     3.8046     2.0096     1.1556     3.2157     1.2564 
   O  12    1.8729     2.5227     2.8081     1.2494     2.5380     2.7783 
   O  13    3.3054     1.2507     4.5315     3.6242     2.4978     5.2172 
   C  14    1.6734     3.1163     1.2507     2.4543     1.8693     2.4669 
   C  15    2.4864     4.4917     1.2502     2.7550     3.2957     1.6564 

              C   7      C   8      O   9      O  10      C  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.1832     0.0000 
   O   9    1.6784     2.8417     0.0000 
   O  10    3.7333     4.6241     2.5014     0.0000 
   C  11    1.2298     0.4221     2.9038     4.8627     0.0000 
   O  12    0.8046     1.8826     1.3405     3.7496     1.7896     0.0000 
   O  13    3.4350     4.5718     1.7687     1.7687     4.6645     3.0693 
   C  14    2.8591     2.7765     3.3727     3.3431     3.1907     3.5429 
   C  15    3.2016     2.4638     4.3628     4.9442     2.8527     4.0043 

              O  13      C  14      C  15
              ---------------------------------
   O  13    0.0000 
   C  14    4.3669     0.0000 
   C  15    5.7135     1.6745     0.0000 



ATOMIC CHARGES
   C   1    0.0714398278
   S   2   -0.1066648785
   C   3    0.0081050404
   C   4    0.1514352253
   C   5    0.1325736166
   C   6    0.0077788044
   C   7    0.0085824316
   C   8    0.0645346421
   O   9   -0.3714241418
   O  10   -0.3714241418
   C  11    0.0009162043
   O  12   -0.2960293419
   O  13   -0.2907689867
   C  14    0.0004728491
   C  15    0.0004728491


BOND ANGLES
   3    1    4   C3   C3   C2     90.631
   3    1    5   C3   C3   C3    126.018
   3    1    7   C3   C3   C3    107.867
   4    1    5   C2   C3   C3    143.351
   4    1    7   C2   C3   C3     17.236
   5    1    7   C3   C3   C3    126.114
   5    2    9   C3  Sac   O2     90.096
   5    2   10   C3  Sac   O2     89.906
   5    2   13   C3  Sac   O3    179.906
   9    2   10   O2  Sac   O2    179.974
   9    2   13   O2  Sac   O3     89.998
  10    2   13   O2  Sac   O3     90.000
   1    3    6   C3   C3   C3    108.118
   1    3   14   C3   C3   C3     84.017
   1    3   15   C3   C3   C3    168.085
   6    3   14   C3   C3   C3    167.865
   6    3   15   C3   C3   C3     83.797
  14    3   15   C3   C3   C3     84.069
   1    4    8   C3   C2   C3    126.195
   1    4   12   C3   C2   O2    117.312
   8    4   12   C3   C2   O2    116.493
   1    5    2   C3   C3  Sac    119.941
   3    6   11   C3   C3   C3    107.830
   3    6    8   C3   C3   C3     93.064
   8    6   11   C3   C3   C3     14.766
   1    7   11   C3   C3   C3    107.861
   4    8    6   C2   C3   C3    121.992
   6   11    7   C3   C3   C3    108.323


TORSION ANGLES
   9    2    5    1      0.026
  10    2    5    1    179.974
  13    2    5    1    179.974
   6    3    1    4      0.026
   6    3    1    5    179.974
   6    3    1    7      0.026
  14    3    1    4    179.974
  14    3    1    5      0.026
  14    3    1    7    179.974
  15    3    1    4    179.974
  15    3    1    5      0.026
  15    3    1    7    179.974
   8    4    1    3      0.026
   8    4    1    5    179.974
   8    4    1    7    179.974
  12    4    1    3    179.974
  12    4    1    5      0.026
  12    4    1    7      0.026
   3    1    5    2    179.974
   4    1    5    2      0.026
   7    1    5    2      0.026
  11    6    3    1      0.026
  11    6    3   14    179.974
  11    6    3   15    179.974
   8    6    3    1      0.026
   8    6    3   14    179.974
   8    6    3   15    179.974
  11    7    1    3      0.026
  11    7    1    4      0.026
  11    7    1    5    179.974
   6    8    4    1      0.026
   6    8    4   12    179.974
   6   11    7    1      0.026
   7   11    6    3      0.026
   7   11    6    8      0.026
   3    6    8    4      0.026
  11    6    8    4    179.974


CHIRAL ATOMS
  11    6    8    4    179.974
  11    6    8    4    179.974