Molecule FYI-1004713

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A

Molecule Summary:

ID: FYI-1004713
Names:
InChIKey: FAMUPMBATZGWOV-UHFFFAOYSA-M
SMILES: Br[Sn](c1ccccc1)(c2ccccc2)c3ccccc3

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

Molecule ID: FYI-1004713 Edit

Molecule Structure InChIKey: FAMUPMBATZGWOV-UHFFFAOYSA-M

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1004713
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    4.9088    3.5427    0.0000 Br  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-1004713-3D
FYIcenter.com

 35 37  0  0  0  0  0  0  0  0999 V2000
    1.1054    0.1442   -0.1514 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6078    0.0773    0.1072 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    4.4214    0.1504   -1.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1277    1.2428   -2.6843 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6260    1.2928   -3.9898 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4184    0.2494   -4.4764 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7161   -0.8430   -3.6553 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2198   -0.8931   -2.3464 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1272    1.8142    1.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7677    1.7062    2.4767 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0682    2.8606    3.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7353    4.1218    2.7112 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1004    4.2329    1.4707 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7960    3.0828    0.7376 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1269   -1.7787    1.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1095   -2.6838    1.3595 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4217   -3.9159    1.9433 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7536   -4.2502    2.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7737   -3.3495    1.8737 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4624   -2.1150    1.2883 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5074    2.0495   -2.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3927    2.1372   -4.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7985    0.2865   -5.4896 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3265   -1.6517   -4.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4470   -1.7459   -1.7214 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0214    0.7336    2.8755 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5562    2.7768    4.1770 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    5.0130    3.2833 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8391    5.2086    1.0842 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2963    3.1798   -0.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0755   -2.4384    1.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6312   -4.6125    2.1938 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9942   -5.2057    2.6498 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042   -3.6137    2.0728 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2576   -1.4269    1.0348 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
$$$$

✍: FYIcenter.com

2023-09-25, 196👍, 0💬