Molecule FYI-1003928

A

Molecule Summary:

ID: FYI-1003928
Names:
InChIKey: PZNVTVNGEXMHQG-PGGSIGJZSA-L
SMILES: Cl[Sn]4(c1ccccc1)(c2ccccc2)Oc3ccc(Br)cc3C=[N+]4Nc5ccccc5

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

Molecule ID: FYI-1003928 Edit

Molecule Structure InChIKey: PZNVTVNGEXMHQG-PGGSIGJZSA-L

Molecule Structure SMILES String: Cl[Sn]4(c1ccccc1)(c2ccccc2)Oc3ccc(Br)cc3C=[N+]4Nc5ccccc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1003928
FYIcenter.com

 31 35  0  0  0  0  0  0  0  0999 V2000
    7.3654    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.3654    1.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5929    2.1262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5929    3.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3654    4.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3654    5.6698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1378    6.3786    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
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    6.1378    7.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1378   10.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9103    9.9223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2276    3.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 15  1  0  0  0  0
 21  5  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23  7  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30 25  1  0  0  0  0
 31 21  2  0  0  0  0
 31  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003928-3D
FYIcenter.com

 51 55  0  0  0  0  0  0  0  0999 V2000
    1.1108   -0.5388   -0.8339 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3042    0.2207   -0.4039 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    4.0793   -0.7618    1.5523 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9405   -2.1643    1.7328 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5570   -2.8424    2.7992 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3174   -2.1502    3.7366 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4655   -0.7789    3.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671   -0.1007    2.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0905    1.1377   -2.3902 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8413    2.3084   -2.6828 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8850    2.8428   -3.9802 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2026    2.2108   -5.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5017    1.0311   -4.7616 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4574    0.4911   -3.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9336   -1.4612   -0.9257 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2548   -1.6291   -1.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6159   -2.9043   -1.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9391   -3.2250   -1.6974 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9229   -2.2512   -1.5214 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7333   -2.7195   -1.8832 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.5877   -0.9665   -1.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2474   -0.6066   -0.7855 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042    0.8125   -0.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8369    1.2814    0.1758 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.6270    2.5674    0.6979 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5335    1.0558    2.0448 H   0  0  0  0  0  0  0  0  0  0  0  0
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  5 33  1  0  0  0  0
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  7  8  1  0  0  0  0
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  9 10  1  0  0  0  0
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 10 11  2  0  0  0  0
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 21 22  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
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 26 31  2  0  0  0  0
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 29 30  2  0  0  0  0
 29 49  1  0  0  0  0
 30 31  1  0  0  0  0
 30 50  1  0  0  0  0
 31 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 903👍, 0💬