Molecule Editor

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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    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
    9.6996    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    5.6000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16  7  1  0  0  0  0
 17 16  1  0  0  0  0
 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
    5.3774    1.2679    3.3930 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    5.4381   -0.3655    4.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292   -1.0775    5.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5633   -1.8886    4.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2950   -2.6232    4.4568 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6768    3.0967    4.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5615    2.9014    5.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1637    4.2660    5.8505 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0450    4.1228    6.8634 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1253    1.2471    4.1575 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7342    2.3437    3.6512 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722    3.1688    4.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8230    4.4221    4.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6702    4.8548    2.8699 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1677    6.6427    2.4260 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.1161    4.0054    1.8958 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6330    2.7356    2.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9497    1.8519    1.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    1.0446    1.4815 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.3585    0.0837    0.6845 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2909   -0.0069   -0.7458 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5820    1.0613   -1.6217 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4239    0.8891   -3.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$