Molecule FYI-1004725

A

Molecule Summary:

ID: FYI-1004725
Names:
InChIKey: CAEZKECCFAQNTQ-UHFFFAOYSA-M
SMILES: Cc3ccc([Sn](I)(c1ccc(C)cc1)c2ccc(C)cc2)cc3

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

Molecule ID: FYI-1004725 Edit

Molecule Structure InChIKey: CAEZKECCFAQNTQ-UHFFFAOYSA-M

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1004725
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    9.9237    2.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6832    3.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6832    5.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4428    5.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2023    5.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9619    5.7294    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    4.9619    7.1618    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.9619    4.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9046    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7214    2.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9619    1.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5497    3.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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  9  8  2  0  0  0  0
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 22  5  1  0  0  0  0
 23 22  2  0  0  0  0
 23  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004725-3D
FYIcenter.com

 44 46  0  0  0  0  0  0  0  0999 V2000
    2.4704   -0.0586    0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9708   -0.0442    0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2730   -0.6355   -1.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1251   -0.6177   -1.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8357   -0.0086   -0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9581    0.0203   -0.0600 Sn  0  0  0  0  0  0  0  0  0  0  0  0
   -4.8805   -1.2641   -2.2856 I   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7198   -0.9064    1.6891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8421   -1.4207    2.6488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3423   -2.0095    3.8138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7283   -2.0893    4.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2793   -2.7075    5.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6048   -1.5791    3.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1013   -0.9903    1.8925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6400    2.0262   -0.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7221    3.0812   -0.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.5514    4.6801   -0.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0521    6.0936   -0.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4672    3.6174   -0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0121    2.2959   -0.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7753    1.0262    1.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  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
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  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
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 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
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 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

2023-10-05, 1292👍, 0💬