Molecule FYI-1003465

A

Molecule Summary:

ID: FYI-1003465
Names:
InChIKey: RYGLOWMCGZHYRQ-WCGVKTIYSA-N
SMILES: Br[13c]2[13cH][13cH][13c](O[13c]1[13cH][13cH][13c](Br)[13c](Br)[13cH]1)[13cH][13c]2Br

Received at FYIcenter.com on: 2023-06-21

Molecule ID: FYI-1003465 Edit

Molecule Structure InChIKey: RYGLOWMCGZHYRQ-WCGVKTIYSA-N

Molecule Structure SMILES String: Br[13c]2[13cH][13cH][13c](O[13c]1[13cH][13cH][13c](Br)[13c](Br)[13cH]1)[13cH][13c]2Br

Download SDF Download SVG Structure in 2D SDF:

FYI-1003465
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    9.6995    1.4000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   1  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   1  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   1  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   1  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   1  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   1  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   1  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   1  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   1  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   1  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   1  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   1  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 Br  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  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
 14  7  1  0  0  0  0
 15  5  1  0  0  0  0
 16 15  2  0  0  0  0
 16  2  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003465-3D
FYIcenter.com

 23 24  0     0  0  0  0  0  0999 V2000
   -2.7448   -2.1505    1.9075 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7422   -2.1509   -1.9076 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -5.2058   -1.2280   -0.3482 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.2033   -1.2287    0.3481 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0010    1.8364   -0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1642    1.1323   -0.0631 C   1  0  0  0  0  0  0  0  0  0  0  0
    1.1822    1.1199    0.0641 C   1  0  0  0  0  0  0  0  0  0  0  0
   -1.3658    0.0407    0.7814 C   1  0  0  0  0  0  0  0  0  0  0  0
    1.3635    0.0405   -0.7816 C   1  0  0  0  0  0  0  0  0  0  0  0
   -2.1550    1.5029   -0.9725 C   1  0  0  0  0  0  0  0  0  0  0  0
    2.1528    1.5026    0.9723 C   1  0  0  0  0  0  0  0  0  0  0  0
   -2.5581   -0.6803    0.7169 C   1  0  0  0  0  0  0  0  0  0  0  0
    2.5557   -0.6806   -0.7170 C   1  0  0  0  0  0  0  0  0  0  0  0
   -3.3472    0.7820   -1.0371 C   1  0  0  0  0  0  0  0  0  0  0  0
    3.3451    0.7815    1.0369 C   1  0  0  0  0  0  0  0  0  0  0  0
   -3.5489   -0.3097   -0.1923 C   1  0  0  0  0  0  0  0  0  0  0  0
    3.5464   -0.3101    0.1922 C   1  0  0  0  0  0  0  0  0  0  0  0
   -0.6079   -0.2391    1.5099 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -0.2360   -1.5086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0033    2.3522   -1.6330 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9969    2.3520    1.6304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1063    1.0882   -1.7526 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1041    1.0877    1.7525 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 18  1  0  0  0  0
  9 13  1  0  0  0  0
  9 19  1  0  0  0  0
 10 14  2  0  0  0  0
 10 20  1  0  0  0  0
 11 15  2  0  0  0  0
 11 21  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 16  1  0  0  0  0
 14 22  1  0  0  0  0
 15 17  1  0  0  0  0
 15 23  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-08, 2464👍, 0💬