
 OpenBabel04291915413D

 57 57  0  0  1  0  0  0  0  0999 V2000
    6.0562   -0.6583    0.8073 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2812   -0.0726    0.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702    0.8084   -0.9109 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4714   -1.5482    1.8530 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5159   -2.2105    2.6267 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2084   -2.0142    2.3918 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2895   -2.6502    3.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9820   -2.4540    2.9017 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0631   -3.0899    3.6465 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4348   -1.5745    1.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4912   -1.8831    2.2513 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.3411   -2.2798    2.6939 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9549   -1.5895    1.8854 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0554   -2.2816    2.6924 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7726   -1.4767    1.7460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2670   -1.6588    1.9558 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.6363   -1.2316    3.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9263   -2.0283    4.3038 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9770   -0.8621    1.0190 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3706   -1.1451    1.3610 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.2775   -1.9654    2.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4728   -2.1448    2.5512 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8733   -1.0991    1.3186 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8548   -0.4188    0.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1563    0.4556   -0.5048 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2843    1.4770    0.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3127    0.8036    0.9938 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1279    1.1290   -1.2915 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5970   -0.7054    0.8511 I   0  0  0  0  0  0  0  0  0  0  0  0
    7.8312   -1.7523    2.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6711   -1.1701    1.4171 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2602   -2.6717    3.1775 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6787   -2.7117    3.2295 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4682    0.1323    1.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4721   -1.1975    0.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8693   -0.8632   -0.2928 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8653    0.4667    0.8405 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3407    0.3195   -1.5602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5476   -2.8352    3.3408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5127   -1.7775    0.7526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5156   -0.4475    1.8859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5241   -2.6880    1.8159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6883   -1.3597    3.5147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3793   -0.2024    3.5069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1593   -2.9613    4.1770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7440    0.0709    1.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9147   -0.9552    1.1464 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4687   -1.1378    0.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4647    0.1920    1.1561 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5464   -0.1552   -1.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7926    2.0926   -0.5170 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8942    2.0879    0.8393 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7598    0.2498    0.4206 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    1.6828   -0.7183 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8826   -3.6534    2.9812 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8786   -2.3235    4.1146 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0246   -3.0273    2.3800 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  2  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  1  0  0  0  0
  2 36  1  0  0  0  0
  2 37  1  0  0  0  0
  3 38  1  0  0  0  0
  4 30  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6 29  1  0  0  0  0
  6  7  1  0  0  0  0
  7 21  1  0  0  0  0
  7  8  2  0  0  0  0
  8 20  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 12 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 19  1  0  0  0  0
 16 17  1  0  0  0  0
 16 42  1  0  0  0  0
 17 18  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 46  1  0  0  0  0
 21 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 23 47  1  0  0  0  0
 24 25  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
 25 28  1  0  0  0  0
 25 26  1  0  0  0  0
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 26 27  1  0  0  0  0
 26 51  1  0  0  0  0
 26 52  1  0  0  0  0
 27 53  1  0  0  0  0
 28 54  1  0  0  0  0
 30 32  1  0  0  0  0
 30 31  2  0  0  0  0
 32 33  1  0  0  0  0
 32 55  1  0  0  0  0
 32 56  1  0  0  0  0
 33 57  1  0  0  0  0
M  END
>  <SKU>
A13097

>  <Product Name>
Ioversol

>  <CAS>
87771-40-2

>  <M.Wt>
807.11127

>  <Formula>
C18H24I3N3O9

>  <Synonyms>
MP 328; Optiray; Optiray 320; P 530

>  <URL>
https://www.adooq.com/ioversol.html

$$$$
