Molecule FYI-1001732

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A

Molecule Summary:

ID: FYI-1001732
SMILES: OC(=O)CCCOc1cc2CC(CC3CC3)(C3CCCC3)C(=O)c2c(Cl)c1Cl

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

Molecule ID: FYI-1001732 Edit

Molecule Structure SMILES String: OC(=O)CCCOc1cc2CC(CC3CC3)(C3CCCC3)C(=O)c2c(Cl)c1Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1001732
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
    6.6793    4.2000    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
    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
    5.4668    2.1000    0.0000 C   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
    6.6793    0.0000    0.0000 Cl  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
  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 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  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
 16 14  1  0  0  0  0
 17 12  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
 21 20  1  0  0  0  0
 21 17  1  0  0  0  0
 22 12  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 24 10  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 25  2  0  0  0  0
 27  8  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001732-3D
FYIcenter.com

 54 57  0  0  1  0  0  0  0  0999 V2000
    1.0213    0.0811   -0.9680 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3477   -0.1852   -1.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7833   -1.3248   -1.0883 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1804    1.0712   -1.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6770    0.7723   -1.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4770    2.0703   -1.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8698    1.7700   -1.2346 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6994    2.7036   -1.8089 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8128    2.1036   -2.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7832    2.9028   -3.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0781    2.4638   -3.6432 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9177    3.7791   -3.6935 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.7429    3.9279   -4.9981 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9600    3.8955   -6.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7078    4.1111   -7.5877 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7300    5.1440   -7.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8790    3.8918   -2.4439 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3563    3.3467   -1.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2369    3.9647   -0.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9262    5.1632   -0.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3155    5.3116   -2.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8329    4.8533   -3.6291 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9469    6.0113   -3.9837 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6278    4.2850   -3.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5548    4.9204   -2.4193 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4642    6.6509   -2.3964 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.5910    4.1187   -1.7706 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    4.9221   -0.8289 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8075    1.0333   -0.9388 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9641    1.6407   -0.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8799    1.6654   -1.9298 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    0.1736   -2.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9912    0.1644   -0.2769 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2768    2.6038   -0.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1568    2.6615   -2.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9205    1.0208   -2.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8624    2.0440   -4.6281 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5710    1.6805   -3.0599 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4794    3.1163   -5.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3166    4.8634   -4.9590 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1913    3.1353   -6.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4291    3.5032   -8.4420 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7617    4.3627   -7.5522 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7929    5.2387   -7.6475 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1222    6.0890   -6.7493 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7878    3.3172   -2.6781 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4042    2.2540   -1.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3233    3.6479   -0.9130 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9796    3.2453    0.3388 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6293    4.2627    0.8392 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0033    4.9782   -0.7337 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7873    6.0707   -0.0651 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0285    5.7438   -2.7600 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4617    5.9923   -1.9729 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  1  0  0  0  0
  8 27  2  0  0  0  0
  9 10  2  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 17 46  1  0  0  0  0
 18 19  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 20  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 21  1  0  0  0  0
 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
 21 53  1  0  0  0  0
 21 54  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
$$$$

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2022-12-14, 704👍, 0💬