Molecule FYI-1004720

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A

Molecule Summary:

ID: FYI-1004720
Names:
InChIKey: CWUPWQLKYNCKBJ-UHFFFAOYSA-M
SMILES: CCC[Sn](F)(CCC)CCC

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

Molecule ID: FYI-1004720 Edit

Molecule Structure InChIKey: CWUPWQLKYNCKBJ-UHFFFAOYSA-M

Molecule Structure SMILES String: CCC[Sn](F)(CCC)CCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1004720
FYIcenter.com

 11 10  0  0  0  0  0  0  0  0999 V2000
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 F   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
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    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  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004720-3D
FYIcenter.com

 32 31  0  0  0  0  0  0  0  0999 V2000
    0.9349   -0.0509   -0.1416 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608   -0.0717   -0.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0375   -0.8249   -1.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1857   -0.8226   -1.2224 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    5.8311    1.0091   -1.2393 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9329   -1.8251    0.5256 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4619   -1.7961    0.5266 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0307   -2.5056    1.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9105   -1.8546   -2.9579 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4329   -1.1486   -4.2241 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9322   -1.8652   -5.4745 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5395    0.5019    0.7365 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5331   -1.0865   -0.1208 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5861    0.4564   -1.0666 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7883   -0.5647    0.8490 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8362    0.9743   -0.0979 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7201   -0.3354   -2.2327 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6834   -1.8777   -1.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5684   -2.8741    0.5143 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5387   -1.3107    1.4277 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8091   -0.7409    0.5246 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8403   -2.2988   -0.3897 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6805   -2.0102    2.6818 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1401   -2.4647    1.7218 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7142   -3.5706    1.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5288   -2.8976   -2.9315 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0204   -1.8710   -2.9228 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8119   -0.1039   -4.2282 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3219   -1.1265   -4.2389 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0429   -1.8848   -5.4901 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5727   -1.3302   -6.3786 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5480   -2.9073   -5.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
M  END
$$$$

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2023-09-25, 2726👍, 0💬