Molecule FYI-1001728

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A

Molecule Summary:

ID: FYI-1001728
SMILES: CCCCC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCCCC(=O)O)C3CCCC3

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

Molecule ID: FYI-1001728 Edit

Molecule Structure SMILES String: CCCCC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCCCC(=O)O)C3CCCC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1001728
FYIcenter.com

 28 30  0  0  0  0  0  0  0  0999 V2000
   16.1063    5.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4039    4.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9994    4.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2971    3.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8926    3.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0669    4.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7312    4.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5148    4.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2984    4.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2984    2.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5148    2.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7312    2.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0669    2.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3468    1.0362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5148    0.6870    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0819    2.0916    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0819    4.9007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8655    4.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6492    4.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4328    4.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2164    4.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2164    6.3053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5302    2.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9697    0.9871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8857    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1372    0.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9175    2.0250    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  7  2  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 11  2  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  2  0  0  0  0
 15 11  1  0  0  0  0
 16 10  1  0  0  0  0
 17  9  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
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24  5  1  0  0  0  0
 25 24  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
 28 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001728-3D
FYIcenter.com

 56 58  0  0  1  0  0  0  0  0999 V2000
    1.0320   -0.4715   -0.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5281   -0.2132   -0.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9748    0.7245    0.9675 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917    0.9348    0.9473 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0717    1.8323    2.0935 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6001    1.9744    1.8415 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7027    3.1943    0.9756 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8050    3.5679    0.2323 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7304    4.7120   -0.5684 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5699    5.5280   -0.5242 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4634    5.1633    0.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5603    3.9817    1.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5846    3.2727    1.8422 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5409    3.7477    2.2458 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0160    6.1045    0.3016 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5269    6.9706   -1.4955 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.7556    5.0783   -1.4165 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6259    4.0094   -1.8081 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3880    4.3654   -3.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3502    5.5326   -2.8778 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1512    5.7958   -4.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0890    5.1460   -5.1618 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9945    6.8463   -3.9884 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    1.3271    3.5133 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4638    1.8932    4.7113 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3428    0.8597    5.8343 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6421   -0.3490    5.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7919   -0.1875    3.7301 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7089   -1.1185   -0.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4710    0.4664   -0.1379 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7737   -0.9639    0.8665 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.2269   -1.1311 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0619   -1.1690   -0.0902 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6530    0.3013    1.9222 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4635    1.6861    0.8565 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7524    1.3652   -0.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9888   -0.0441    0.9772 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0198    1.0944    1.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1959    2.1742    2.7309 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6948    2.9491    0.2789 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0465    3.1021   -2.0225 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3359    3.8091   -0.9970 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6781    4.6114   -3.8755 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9483    3.4795   -3.4016 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0537    5.2981   -2.0707 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7937    6.4394   -2.6200 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9418    7.2760   -3.1140 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    1.5975    3.6852 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0800    2.8709    5.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5293    2.0187    4.5164 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7888    1.2559    6.6908 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3403    0.5790    6.1933 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5814   -0.3338    5.5132 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0638   -1.2944    5.5897 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0100   -0.7554    3.2185 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7626   -0.5652    3.3927 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
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 38  1  0  0  0  0
  6 39  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 40  1  0  0  0  0
  9 10  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 47  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  1  0  0  0  0
 24 48  1  0  0  0  0
 25 26  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 26 27  1  0  0  0  0
 26 51  1  0  0  0  0
 26 52  1  0  0  0  0
 27 28  1  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
 28 55  1  0  0  0  0
 28 56  1  0  0  0  0
M  END
$$$$

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2022-12-02, 927👍, 0💬