Molecule FYI-1004721

A

Molecule Summary:

ID: FYI-1004721
Names:
InChIKey: WUDNFUZLZCDJLG-UHFFFAOYSA-M
SMILES: Cc3ccc([Sn](Br)(c1ccc(C)cc1)c2ccc(C)cc2)cc3

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

Molecule ID: FYI-1004721 Edit

Molecule Structure InChIKey: WUDNFUZLZCDJLG-UHFFFAOYSA-M

Molecule Structure SMILES String: Cc3ccc([Sn](Br)(c1ccc(C)cc1)c2ccc(C)cc2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004721
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.1271    4.9525    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.9016    5.6599    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    4.9016    7.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1271    7.7824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1271    9.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9016    9.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9016   11.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6762    9.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6762    7.7824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9016    4.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8572    3.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6762    2.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9016    1.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9016    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6762    4.9525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4508    5.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2254    4.9525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4508    2.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3289    3.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  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  6  1  0  0  0  0
  9  8  2  0  0  0  0
  9  3  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  2  0  0  0  0
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 17  2  1  0  0  0  0
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 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
 23 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004721-3D
FYIcenter.com

 44 46  0  0  0  0  0  0  0  0999 V2000
    2.4694   -0.0623    0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9698   -0.0474    0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2707   -0.6408   -1.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1275   -0.6221   -1.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8367   -0.0100   -0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9588    0.0195   -0.0622 Sn  0  0  0  0  0  0  0  0  0  0  0  0
   -4.8082   -1.1689   -2.1135 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.7189   -0.9077    1.6871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8406   -1.4220    2.6457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3396   -2.0110    3.8109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7256   -2.0900    4.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2748   -2.7084    5.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6031   -1.5797    3.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1003   -0.9908    1.8919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6398    2.0258   -0.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7213    3.0802   -0.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1725    4.4034   -0.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5495    4.6804   -0.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0496    6.0942   -0.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4660    3.6182   -0.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0117    2.2964   -0.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1452    0.5847    1.0286 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2526    0.5657    1.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8049   -1.1179   -1.8614 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7765    1.0278    1.8814 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  1  0  0  0  0
  2 23  2  0  0  0  0
  3  4  2  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  2  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 12  1  0  0  0  0
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 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  2  0  0  0  0
 16 17  2  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-25, 1195👍, 0💬