Molecule FYI-1004699

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A

Molecule Summary:

ID: FYI-1004699
Names:
InChIKey: PWBHRVGYSMBMIO-UHFFFAOYSA-M
SMILES: CCCC[Sn](CCCC)(CCCC)OC(C)=O

Received at FYIcenter.com on: 2023-09-22

Molecule ID: FYI-1004699 Edit

Molecule Structure InChIKey: PWBHRVGYSMBMIO-UHFFFAOYSA-M

Molecule Structure SMILES String: CCCC[Sn](CCCC)(CCCC)OC(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004699
FYIcenter.com

 17 16  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    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
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    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
    1.2124    4.9000    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
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    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
    6.0621    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  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  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14  5  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004699-3D
FYIcenter.com

 47 46  0  0  0  0  0  0  0  0999 V2000
    5.2238   -1.5384    2.4879 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6535   -0.7746    1.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0838   -1.4248   -0.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5334   -0.6660   -1.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1916   -1.6284   -3.0377 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    4.4342   -3.6358   -3.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8655   -4.3700   -4.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3453   -5.8115   -4.2902 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7743   -6.5483   -5.5556 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4733   -0.6095   -4.7853 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0251    0.8136   -4.8174 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5551    1.5629   -6.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1054    2.9862   -6.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1574   -1.6884   -3.1178 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9682   -0.7681   -2.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4502   -0.9252   -2.6477 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5051    0.1941   -1.9531 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9014   -1.0532    3.4331 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3343   -1.5386    2.4498 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8599   -2.5881    2.4843 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0195    0.2746    1.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5439   -0.7693    1.3663 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7137   -2.4725   -0.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1935   -1.4365   -0.0807 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8975    0.3831   -1.2267 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4229   -0.6636   -1.2099 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3260   -3.5960   -2.9578 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8328   -4.1532   -2.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9761   -4.3768   -4.3421 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4659   -3.8294   -5.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2348   -5.8090   -4.2350 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7455   -6.3542   -3.4059 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3681   -6.0385   -6.4553 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3862   -7.5884   -5.5304 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8824   -6.5835   -5.6246 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3629   -0.5945   -4.7640 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8135   -1.1719   -5.6807 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1368    0.7697   -4.8118 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6826    1.3534   -3.9084 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4443    1.6067   -6.0848 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9046    1.0278   -6.9788 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7511    3.5500   -5.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542    3.5081   -7.0065 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2163    2.9708   -6.0947 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7027   -1.8429   -3.2202 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8892   -1.0026   -1.6306 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8842   -0.0461   -3.1684 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 13  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-25, 1281👍, 0💬