Molecule FYI-1004714

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A

Molecule Summary:

ID: FYI-1004714
Names:
InChIKey: JBYRKMGOSFMHRL-UHFFFAOYSA-M
SMILES: F[Sn](c1ccccc1)(c2ccccc2)c3ccccc3

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

Molecule ID: FYI-1004714 Edit

Molecule Structure InChIKey: JBYRKMGOSFMHRL-UHFFFAOYSA-M

Molecule Structure SMILES String: F[Sn](c1ccccc1)(c2ccccc2)c3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004714
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    4.9088    3.5427    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6816    4.2512    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    3.6816    5.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9088    6.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9088    7.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6816    8.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4544    7.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4544    6.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6816    2.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6357    2.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4544    0.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6816    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9088    0.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9088    2.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4544    3.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2272    4.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2272    1.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1065    2.0782    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15  2  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004714-3D
FYIcenter.com

 35 37  0  0  0  0  0  0  0  0999 V2000
    1.0475   -0.0779   -0.0752 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9869   -0.0776    0.0104 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    3.6544    1.8357   -0.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2329    2.9646    0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6418    4.2410   -0.3092 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4738    4.3928   -1.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8989    3.2670   -2.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4910    1.9869   -1.7381 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5680   -0.3367    2.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5795   -0.4776    3.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9390   -0.6461    4.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2889   -0.6736    4.7171 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2798   -0.5324    3.7393 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9210   -0.3641    2.3959 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6767   -1.7084   -1.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3655   -1.7740   -2.5307 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7915   -2.8657   -3.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5301   -3.8930   -2.6996 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8451   -3.8283   -1.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4188   -2.7377   -0.5724 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5866    2.8523    0.9487 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3121    5.1110    0.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7871    5.3825   -1.7301 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5423    3.3885   -2.9979 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8202    1.1202   -2.2955 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5339   -0.4561    2.7379 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1713   -0.7544    5.1099 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5655   -0.8033    5.7556 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3240   -0.5531    4.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6893   -0.2537    1.6435 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7873   -0.9858   -2.9942 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5455   -2.9187   -4.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8553   -4.7399   -3.2910 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4141   -4.6254   -0.8776 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6591   -2.6992    0.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  2  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  2  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 16 31  1  0  0  0  0
 17 18  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  2  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
M  END
$$$$

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2023-09-25, 3256👍, 0💬