Molecule FYI-1001733

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A

Molecule Summary:

ID: FYI-1001733
SMILES: OC(=O)CCCOC1=C(Cl)C(=C2C(=C1)CC(CC3CC3)(C4CCCC4)C2=O)Cl

Received at FYIcenter.com on: 2022-11-17

Molecule ID: FYI-1001733 Edit

Molecule Structure SMILES String: OC(=O)CCCOC1=C(Cl)C(=C2C(=C1)CC(CC3CC3)(C4CCCC4)C2=O)Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1001733
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
   15.1663    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9539    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9539    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7415    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5290    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3166    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1041    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8917    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8917    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1041    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6793    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4668    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4668    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6793    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1353    3.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6769    4.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125    5.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3225    6.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0751    5.6492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2941    4.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1353    1.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7027    0.3359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6793    0.0000    0.0000 Cl  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  2  1  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  2  0  0  0  0
 10  9  1  0  0  0  0
 11  9  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  8  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 18  1  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 25 21  1  0  0  0  0
 26 16  1  0  0  0  0
 26 12  1  0  0  0  0
 27 26  2  0  0  0  0
 28 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001733-3D
FYIcenter.com

 54 57  0  0  1  0  0  0  0  0999 V2000
    5.8705    2.1318    3.6804 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5579    1.6140    2.4645 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6477    2.0463    1.7876 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4670    0.4761    2.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1133   -0.1351    0.7272 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0988   -1.2528    0.4222 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8220   -1.8760   -0.8306 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7020   -2.8745   -1.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4590   -3.5538   -2.4188 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0996   -3.0739   -3.3929 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.3273   -4.5763   -2.8557 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4318   -4.8581   -2.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6950   -4.1787   -0.8811 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8248   -3.2147   -0.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9890   -4.5853   -0.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7404   -5.3159   -1.3829 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.4354   -6.5964   -0.8593 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5084   -6.3723    0.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1780   -7.5877    0.7713 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3063   -6.7227    1.6337 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7075   -4.3665   -2.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2379   -2.9231   -2.4185 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1055   -2.3892   -3.5545 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7148   -3.6070   -4.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0679   -4.8260   -3.5937 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5690   -5.7485   -2.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5734   -6.6836   -3.0628 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0842   -5.3994   -4.3545 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6224    1.6940    4.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3930   -0.2948    2.8613 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4946    0.8549    2.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1538    0.6223   -0.0652 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0886   -0.5235    0.7237 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0328   -2.0049    1.2192 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1036   -0.8116    0.3992 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0671   -2.7227    0.5117 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7661   -5.2455    0.6062 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5455   -3.7196    0.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8848   -7.1362   -1.7015 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6750   -7.2757   -0.4470 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1731   -5.5503   -0.0539 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2519   -7.5504    0.9213 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8085   -8.5723    0.5036 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8014   -6.1136    2.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3616   -7.1407    1.9610 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6448   -4.2779   -1.6120 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3448   -2.2996   -1.5243 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1935   -2.8741   -2.7383 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8950   -1.7341   -3.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5013   -1.7962   -4.2496 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7973   -3.6203   -4.0828 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5378   -3.5887   -5.3218 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7382   -5.6905   -3.5962 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1778   -5.0851   -4.1761 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 21 46  1  0  0  0  0
 22 23  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 24  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 25  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
$$$$

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2023-01-01, 433👍, 0💬