Molecule FYI-1001299

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A

Molecule Summary:

ID: FYI-1001299
SMILES: Cl/C(Cl)=C/C1C(C(OC(C2=CC=CC(OC3=CC=CC=C3)=C2)C#N)=O)C(C)1C

Received at FYIcenter.com on: 2022-05-07

Molecule ID: FYI-1001299 Edit

Molecule Structure SMILES String: Cl/C(Cl)=C/C1C(C(OC(C2=CC=CC(OC3=CC=CC=C3)=C2)C#N)=O)C(C)1C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001299
FYIcenter.com

 28 30  0  0  0  0  0  0  0  0999 V2000
   11.0995    4.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    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
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   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
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    1.7752    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  2  2  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  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 14  2  0  0  0  0
 22 10  1  0  0  0  0
 23  9  1  0  0  0  0
 24 23  3  0  0  0  0
 25  7  2  0  0  0  0
 26  6  1  0  0  0  0
 27 26  1  0  0  0  0
 26  5  1  0  0  0  0
 28 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001299-3D
FYIcenter.com

 47 49  0  0  1  0  0  0  0  0999 V2000
    7.6648   -0.0215    8.0495 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.4866   -0.0663    6.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9181    0.2251    5.6782 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5495   -0.3099    5.5489 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6144   -0.3613    4.0728 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4955    0.9112    3.2465 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7095    0.9277    1.9672 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5748    2.1929    1.4725 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7981    2.3383    0.2563 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4187    2.9931    0.5461 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8330    2.9138    1.8162 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7221    3.6984    2.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1451    4.5361    1.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5803    4.4907   -0.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9590    5.1851   -1.1609 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5804    5.3171   -1.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    6.4856   -1.6546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3567    6.7016   -1.5764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1822    5.7547   -0.9675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6374    4.5678   -0.4865 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7322    4.3337   -0.6026 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7249    3.7442   -0.4479 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5067    3.2991   -0.6845 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0945    4.0961   -1.4651 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2380   -0.0812    1.4675 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8472    0.1997    3.3737 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9298    0.8647    4.2011 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4066   -0.6345    2.2439 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4900   -0.5167    6.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1980   -1.2792    3.6623 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3857    1.8359    3.8077 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375    1.3838   -0.2577 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2505    2.2748    2.5893 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3060    3.6682    3.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3234    5.1857    1.4772 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6595    7.2378   -2.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7908    7.6145   -1.9780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2499    5.9368   -0.8725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2715    3.8253   -0.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1330    3.3923   -0.2385 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0865    3.7945   -1.4760 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5249    1.5312    4.9704 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5864    1.4645    3.5640 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5432    0.1044    4.6995 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3434   -0.2073    1.8701 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7257   -0.7133    1.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6227   -1.6484    2.5985 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  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  2  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  2  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 22  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  2  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 20 21  2  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 24  3  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 42  1  0  0  0  0
 27 43  1  0  0  0  0
 27 44  1  0  0  0  0
 28 45  1  0  0  0  0
 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
M  END
$$$$

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2022-05-15, 1582👍, 0💬