Molecule FYI-1001804

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Molecule Summary:

ID: FYI-1001804
SMILES: CC(COCC(C)OC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2

Received at FYIcenter.com on: 2022-12-13

Molecule ID: FYI-1001804 Edit

Molecule Structure SMILES String: CC(COCC(C)OC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1001804
FYIcenter.com

 25 26  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 O   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
    3.6373    4.2000    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
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  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  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  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
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17  2  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001804-3D
FYIcenter.com

 47 48  0  0  1  0  0  0  0  0999 V2000
    3.0297   -1.0803    1.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5144   -0.0801    0.1980 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0478    1.3217    0.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    2.2908   -0.3880 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0095    3.6032   -0.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5195    4.6169   -1.1189 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9937    4.6849   -1.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9986    5.9433   -0.8051 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2920    6.2002   -1.1267 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0791    5.4020   -1.6057 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6383    7.6185   -0.8309 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9282    8.0680   -1.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2807    9.4039   -0.9400 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3493   10.2955   -0.4103 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0721    9.8513   -0.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7158    8.5157   -0.2759 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9848   -0.4676   -1.1126 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2724   -1.4496   -1.7182 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3348   -2.0626   -1.2276 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7627   -1.6936   -3.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1361   -2.6944   -3.8598 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5062   -2.9075   -5.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5084   -2.1279   -5.7653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1564   -1.1518   -5.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7887   -0.9359   -3.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6818   -0.8245    2.2350 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1256   -1.1018    1.2333 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7005   -2.0980    1.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4181   -0.0442    0.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1424    1.3329    0.4759 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7340    1.6011    1.5444 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1047    3.5969   -0.0399 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6552    3.8950    0.9208 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8528    4.3248   -2.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6017    5.0055   -0.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5503    3.7176   -1.3956 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6549    5.4237   -1.8756 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6617    7.3823   -1.5687 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2784    9.7497   -1.1998 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6184   11.3392   -0.2637 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3488   10.5472    0.3481 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7128    8.1935   -0.0086 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3462   -3.3017   -3.4219 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0045   -3.6719   -5.7772 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7814   -2.2776   -6.8069 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9405   -0.5469   -5.4584 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2983   -0.1611   -3.1093 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  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  8  1  0  0  0  0
  6 34  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 38  1  0  0  0  0
 13 14  2  0  0  0  0
 13 39  1  0  0  0  0
 14 15  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  2  0  0  0  0
 15 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 22 23  2  0  0  0  0
 22 44  1  0  0  0  0
 23 24  1  0  0  0  0
 23 45  1  0  0  0  0
 24 25  2  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
M  END
$$$$

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2023-01-06, 2156👍, 0💬