Molecule FYI-1003926

A

Molecule Summary:

ID: FYI-1003926
Names:
InChIKey: BVSYGWPBDIXTPA-PGGSIGJZSA-L
SMILES: C[Sn]2(C)(Cl)Oc1ccc(Br)cc1C=[N+]2Nc3ccccc3

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

Molecule ID: FYI-1003926 Edit

Molecule Structure InChIKey: BVSYGWPBDIXTPA-PGGSIGJZSA-L

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1003926
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.2747    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3000    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    5.6000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    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  7  1  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  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  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 21 11  2  0  0  0  0
 21  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003926-3D
FYIcenter.com

 37 39  0  0  0  0  0  0  0  0999 V2000
    1.2964   -0.0780   -1.5815 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1414   -0.0666   -0.4612 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    4.2146   -1.0907   -2.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0643   -0.1439    0.8962 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0851    1.8473   -0.3853 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2440    2.4696    0.4677 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1772    3.8606    0.3465 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3333    4.6121    1.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5385    3.9832    2.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6306    5.0220    3.2021 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.5934    2.5991    2.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4326    1.7999    1.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3599    0.3099    1.7317 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9729   -0.6269    1.0663 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.7929   -1.9702    1.3687 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5109   -2.4977    1.7188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6720   -1.8448    1.3169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9228   -2.3604    1.6484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0170   -3.5352    2.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8547   -4.2079    2.7853 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4077   -3.7007    2.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4074    0.4425   -2.5511 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5091    0.4395   -0.9927 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9675   -1.1263   -1.7417 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1389   -0.5115   -2.2198 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6061   -1.1296   -2.9347 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4882   -2.1127   -1.6819 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7868    4.3615   -0.3953 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2954    5.6864    1.0328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0432    2.1387    3.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7217    0.0162    2.5608 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5738   -2.6244    1.2187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6381   -0.9424    0.7247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8172   -1.8436    1.3232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9918   -3.9255    2.6520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9372   -5.1220    3.3578 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2962   -4.2318    2.7539 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 14  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  2  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  0  0  0  0
 19 20  2  0  0  0  0
 19 35  1  0  0  0  0
 20 21  1  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 1749👍, 0💬