Molecule FYI-1003927

A

Molecule Summary:

ID: FYI-1003927
Names:
InChIKey: VHNYDZLWFIZENR-PGGSIGJZSA-L
SMILES: CCCC[Sn]2(Cl)(CCCC)Oc1ccc(Br)cc1C=[N+]2Nc3ccccc3

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

Molecule ID: FYI-1003927 Edit

Molecule Structure InChIKey: VHNYDZLWFIZENR-PGGSIGJZSA-L

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1003927
FYIcenter.com

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.4249   10.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    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
    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 Cl  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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    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
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13  7  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17  5  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19  7  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  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
 27 17  2  0  0  0  0
 27  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003927-3D
FYIcenter.com

 55 57  0  0  0  0  0  0  0  0999 V2000
    0.9135   -0.6089    0.4631 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2471   -0.1279   -0.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7430   -0.9466   -1.3068 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0347   -0.3011   -1.8069 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -1.2816   -3.3256 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    6.8776   -2.0517   -4.9082 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8130   -1.8639   -4.7511 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5185   -0.7290   -5.7111 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5095   -1.1673   -6.7753 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2114   -0.0145   -7.7243 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9042   -2.5785   -2.0585 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4230   -2.1072   -0.9126 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2791   -2.9450    0.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6265   -2.5138    1.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1546   -1.2384    1.6400 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5241   -0.6228    3.4066 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.3695   -0.3979    0.5407 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0143   -0.7962   -0.7624 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1926    0.2545   -1.8552 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5857    0.2418   -3.0123 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.7243    1.2535   -3.9459 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9388    1.9866   -4.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1819    1.4096   -3.8304 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3662    2.1177   -4.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3270    3.4191   -4.5164 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0995    4.0075   -4.8449 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9109    3.2919   -4.6666 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6359    0.0204    1.3382 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9859   -1.6647    0.7955 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1245   -0.5061   -0.3096 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0009   -0.1920    0.7311 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1380    0.9424   -0.3703 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9927   -0.9363   -2.1241 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9294   -1.9942   -0.9850 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6580   -0.1750   -0.9075 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8176    0.7250   -2.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8978   -2.1880   -4.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2054   -2.7392   -5.3151 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4652   -0.4243   -6.2087 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1165    0.1286   -5.1318 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5640   -1.4952   -6.2901 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9225   -2.0208   -7.3590 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7790    0.8379   -7.1583 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4841   -0.3412   -8.4957 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1453    0.3168   -8.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8346   -3.9259    0.0569 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4508   -3.1654    2.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7630    0.5966    0.7166 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8081    1.1106   -1.5998 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9200    1.4794   -4.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2419    0.3947   -3.4563 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3132    1.6492   -3.7839 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2497    3.9670   -4.6583 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0768    5.0174   -5.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9649    3.7608   -4.9168 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  8 39  1  0  0  0  0
  8 40  1  0  0  0  0
  9 10  1  0  0  0  0
  9 41  1  0  0  0  0
  9 42  1  0  0  0  0
 10 43  1  0  0  0  0
 10 44  1  0  0  0  0
 10 45  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  2  0  0  0  0
 13 14  2  0  0  0  0
 13 46  1  0  0  0  0
 14 15  1  0  0  0  0
 14 47  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 48  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 49  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 50  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  2  0  0  0  0
 23 24  2  0  0  0  0
 23 51  1  0  0  0  0
 24 25  1  0  0  0  0
 24 52  1  0  0  0  0
 25 26  2  0  0  0  0
 25 53  1  0  0  0  0
 26 27  1  0  0  0  0
 26 54  1  0  0  0  0
 27 55  1  0  0  0  0
M  END
$$$$

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2023-08-09, 2638👍, 0💬