Molecule FYI-1004710

A

Molecule Summary:

ID: FYI-1004710
Names:
InChIKey: QRDHEUGWMQEUHW-UHFFFAOYSA-N
SMILES: c4ccc(C[Sn](c1ccccc1)(c2ccccc2)c3ccccc3)cc4

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

Molecule ID: FYI-1004710 Edit

Molecule Structure InChIKey: QRDHEUGWMQEUHW-UHFFFAOYSA-N

Molecule Structure SMILES String: c4ccc(C[Sn](c1ccccc1)(c2ccccc2)c3ccccc3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1004710
FYIcenter.com

 26 29  0  0  0  0  0  0  0  0999 V2000
    8.5652    5.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3416    6.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1180    5.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1180    4.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3416    3.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5652    4.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8944    3.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6708    4.2387    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    3.6708    5.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8944    6.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6708    8.4775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4472    7.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4472    6.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6708    2.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6279    2.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4472    0.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6708    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8944    0.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8944    2.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4472    3.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2236    4.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2236    1.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1004    2.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  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  8  1  0  0  0  0
 16 15  2  0  0  0  0
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 21  8  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 26 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004710-3D
FYIcenter.com

 48 51  0  0  0  0  0  0  0  0999 V2000
   -2.9555    3.1184   -3.5868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6859    1.9312   -3.6526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6556    1.0281   -2.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8890    1.3029   -1.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8121    0.3742   -0.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9589   -1.4514   -0.3696 Sn  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2790   -2.5576   -2.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9451   -2.9761   -2.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4932   -3.7063   -3.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3737   -4.0174   -4.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7063   -3.5970   -4.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1607   -1.9862    2.6261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0581   -2.7154    3.8142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5660   -4.0242    3.7899 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2740   -3.8726    1.3888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0230   -1.0211   -0.5483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4759    0.3025   -0.5356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8435    0.5734   -0.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7578   -0.4783   -0.7661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3050   -1.8016   -0.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1917    3.4041   -2.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9824    3.8150   -4.4138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2785    1.7088   -4.5299 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1671    0.9166    0.6589 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.8161   -0.2687   -0.8503 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.5897   -3.0982   -0.6776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5606    2.7427   -0.5134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6257    4.3249   -2.4039 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  2  0  0  0  0
  1 27  1  0  0  0  0
  2  3  2  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  2  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  2  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  2  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  2  0  0  0  0
 20 21  2  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 22 23  2  0  0  0  0
 22 44  1  0  0  0  0
 23 24  1  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 26  1  0  0  0  0
 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-25, 1998👍, 0💬