Molecule FYI-1004716

A

Molecule Summary:

ID: FYI-1004716
Names:
InChIKey: WDQNIWFZKXZFAY-UHFFFAOYSA-M
SMILES: CC(=O)O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3

Received at FYIcenter.com on: 2023-09-22

Molecule ID: FYI-1004716 Edit

Molecule Structure InChIKey: WDQNIWFZKXZFAY-UHFFFAOYSA-M

Molecule Structure SMILES String: CC(=O)O[Sn](c1ccccc1)(c2ccccc2)c3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004716
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.3525    3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1270    4.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1270    5.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9017    3.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6762    4.2450    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    3.6762    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9017    6.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9017    7.7824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6762    8.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4508    7.7824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4508    6.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6762    2.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6318    2.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4508    0.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6762    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9017    0.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9017    2.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4508    3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2255    4.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2255    1.4150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1035    2.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12  5  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
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 17 12  1  0  0  0  0
 18  5  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004716-3D
FYIcenter.com

 41 43  0  0  0  0  0  0  0  0999 V2000
    1.0815    0.4956   -1.7503 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5683    0.4903   -1.8929 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0786    0.1788   -2.9591 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3334    0.8360   -0.8327 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2990    0.8815   -0.8733 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    5.9701    1.5068    1.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7705    0.6675    1.8175 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1937    1.0879    3.0827 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8196    2.3471    3.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0214    3.1863    2.7798 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5958    2.7659    1.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0423   -1.0673   -1.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1521   -2.1359   -1.4436 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6387   -3.4222   -1.6975 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0160   -3.6434   -1.7911 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9074   -2.5777   -1.6295 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4216   -1.2908   -1.3725 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9308    2.3056   -2.3193 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9747    3.0270   -3.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3782    3.9774   -3.9875 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7391    4.2091   -4.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6964    3.4902   -3.4861 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2940    2.5393   -2.5407 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5932    0.1963   -2.7021 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7411    1.5156   -1.4751 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7850   -0.2166   -0.9524 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0590   -0.3091    1.4524 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8091    0.4377    3.6909 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1463    2.6717    4.5431 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7308    4.1603    3.1517 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9754    3.4164    0.9130 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0855   -1.9744   -1.3673 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9487   -4.2474   -1.8192 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3918   -4.6395   -1.9870 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9735   -2.7503   -1.7011 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1158   -0.4710   -1.2445 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9200    2.8590   -2.8765 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6362    4.5356   -4.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0498    4.9466   -4.9373 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7499    3.6722   -3.6570 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0392    1.9893   -1.9817 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  2  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  2  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
 19 20  2  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  2  0  0  0  0
 21 39  1  0  0  0  0
 22 23  1  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-25, 2142👍, 0💬