Molecule FYI-1003931

A

Molecule Summary:

ID: FYI-1003931
Names:
InChIKey: WCFTXESGSPTRGQ-PGGSIGJZSA-M
SMILES: CCCC[Sn]2(CCCC)(CCCC)Oc1ccc(Br)cc1C=[N+]2Nc3ccccc3

Received at FYIcenter.com on: 2023-08-05

Molecule ID: FYI-1003931 Edit

Molecule Structure InChIKey: WCFTXESGSPTRGQ-PGGSIGJZSA-M

Molecule Structure SMILES String: CCCC[Sn]2(CCCC)(CCCC)Oc1ccc(Br)cc1C=[N+]2Nc3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003931
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    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  3  1  0  0  0  0
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 16  7  1  0  0  0  0
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 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20  5  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22  7  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 24  1  0  0  0  0
 30 20  2  0  0  0  0
 30  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003931-3D
FYIcenter.com

 67 69  0  0  0  0  0  0  0  0999 V2000
    2.2348    2.7293   -0.6080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5033    2.2113    0.6417 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3267    1.2347    1.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5378    1.8453    2.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1677    6.6427    2.4260 Br  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-08-09, 2114👍, 0💬