Molecule FYI-1004715

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A

Molecule Summary:

ID: FYI-1004715
Names:
InChIKey: KJSACGHPPNXZFT-UHFFFAOYSA-M
SMILES: I[Sn](c1ccccc1)(c2ccccc2)c3ccccc3

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

Molecule ID: FYI-1004715 Edit

Molecule Structure InChIKey: KJSACGHPPNXZFT-UHFFFAOYSA-M

Molecule Structure SMILES String: I[Sn](c1ccccc1)(c2ccccc2)c3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004715
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    4.9088    3.5427    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.6816    4.2512    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    3.6816    5.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9088    6.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9088    7.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6816    8.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4544    7.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4544    6.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6816    2.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6357    2.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4544    0.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6816    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9088    0.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9088    2.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4544    3.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2272    4.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2272    1.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1065    2.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15  2  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004715-3D
FYIcenter.com

 35 37  0  0  0  0  0  0  0  0999 V2000
    1.0826    0.0007    0.0357 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.8114    0.0674    0.0083 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    4.4581    0.6775    1.9326 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0654   -0.0587    3.0567 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4769    0.3363    4.3326 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2845    1.4661    4.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6797    2.2035    3.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2652    1.8104    2.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5473   -1.8926   -0.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3533   -2.1592   -1.4677 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8337   -3.4555   -1.6893 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5118   -4.4846   -0.7982 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7075   -4.2193    0.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2246   -2.9259    0.5343 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4522    1.4656   -1.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4961    2.1709   -2.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8981    3.1059   -3.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2583    3.3370   -3.3834 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2170    2.6323   -2.6475 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8155    1.6977   -1.6855 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4359   -0.9302    2.9451 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1678   -0.2330    5.2002 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6027    1.7718    5.4757 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3040    3.0782    3.4868 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5721    2.3853    1.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6070   -1.3675   -2.1597 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4557   -3.6634   -2.5504 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8843   -5.4866   -0.9683 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4585   -5.0145    1.0048 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6028   -2.7297    1.3964 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4419    2.0013   -2.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1551    3.6518   -3.7274 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5678    4.0626   -4.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2697    2.8135   -2.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5610    1.1572   -1.1166 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  2  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  2  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 16 31  1  0  0  0  0
 17 18  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  2  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-25, 477👍, 0💬