Molecule FYI-1001730

Home > Molecule

A

Molecule Summary:

ID: FYI-1001730
SMILES: [H]OC(=O)CCCOC1=C(Cl)C(Cl)=C2C(=O)C(C\\C=C\\C)(CC2=C1)C1CCCC1

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

Molecule ID: FYI-1001730 Edit

Molecule Structure SMILES String: [H]OC(=O)CCCOC1=C(Cl)C(Cl)=C2C(=O)C(CC=CC)(CC2=C1)C1CCCC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001730
FYIcenter.com

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.3113    3.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8015    8.4931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5851    9.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5851   10.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3687    8.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1524    9.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9360    8.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7196    9.1954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5032    8.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2867    9.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2867   10.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0703    8.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8539    9.1954    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0703    7.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0266    6.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7404    6.5683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5979    4.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8956    3.6492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5979    2.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8956    1.2164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5979    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9947    5.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2867    6.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5032    7.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1952    4.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3864    6.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0735    5.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  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  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
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
 23 14  1  0  0  0  0
 24 23  2  0  0  0  0
 24  9  1  0  0  0  0
 25 17  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
  1 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001730-3D
FYIcenter.com

 54 56  0  0  1  0  0  0  0  0999 V2000
    0.6162   -2.1242    5.8173 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -2.2776    6.0129 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2090   -1.3864    5.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5916   -0.6345    4.5056 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -1.4781    5.4093 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4557   -0.4923    4.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9482   -0.6490    4.7938 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7319    0.2384    3.9907 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0935    0.1861    4.2172 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9413    1.0049    3.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2191    2.0626    2.2484 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.3420    0.9935    3.6155 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3940    2.0054    2.6918 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.8478    0.1886    4.6249 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2055    0.0536    5.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2249    0.4316    4.6339 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1143   -0.5647    6.5826 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.2595   -1.5698    6.8541 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3516   -2.7478    5.9190 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2866   -4.0268    6.3206 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4427   -5.1952    5.4027 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7370   -1.2794    6.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0168   -0.5720    5.4361 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6555   -0.6175    5.2159 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0982    0.5724    7.6693 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3552    1.8733    7.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8822    2.9318    8.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1755    2.3756    8.8582 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4746    1.1022    8.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0050   -2.5022    5.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9219   -1.2807    6.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1489    0.5403    4.7347 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2426   -0.6632    3.4645 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2375   -1.6820    4.5678 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1141   -0.4283    5.8549 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1692   -1.9293    7.8885 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2270   -1.0586    6.7845 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5355   -2.5208    4.8692 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1360   -4.2615    7.3723 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5823   -4.8872    4.3618 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5553   -5.8328    5.4553 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3121   -5.7882    5.7029 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1932   -1.1946    7.4832 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8011   -2.3407    6.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0674   -1.2587    5.8623 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6308    0.1623    8.5775 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2681    1.7681    7.3835 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5922    2.2174    6.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1579    3.1366    9.0717 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0610    3.8752    7.7481 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0303    2.1451    9.9199 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0007    3.0907    8.7862 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0211    0.3882    8.7046 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0865    1.3325    7.2012 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
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 17 25  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  2  3  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 24  2  0  0  0  0
 24 45  1  0  0  0  0
 25 26  1  0  0  0  0
 25 29  1  0  0  0  0
 25 46  1  0  0  0  0
 26 27  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 28  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
 28 29  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-12-02, 1100👍, 0💬