Molecule FYI-1000207

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Molecule Summary:

ID: FYI-1000207
SMILES: [*]C.[*]CC.CCCCCCOC(=O)c1ccccc1C(=O)OCCC

Received at FYIcenter.com on: 2020-12-12

Molecule ID: FYI-1000207 Edit

Molecule Structure SMILES String: [*]C.[*]CC.CCCCCCOC(=O)c1ccccc1C(=O)OCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1000207
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.8655    4.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    2.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4655    1.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    2.8959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    3.4653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694    1.5035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    5.6959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    7.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3406    7.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    8.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1406    7.0959    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  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  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
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
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 18 17  1  0  0  0  0
 18 13  1  0  0  0  0
 19 18  2  0  0  0  0
 19 11  1  0  0  0  0
 20  8  1  0  0  0  0
 21  7  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000207-3D
FYIcenter.com

 58 56  0  0  0  0  0  0  0  0999 V2000
    0.3589    0.6814   -1.8884 *   0  0  0  0  0  0  0  0  0  0  0  0
    1.0022    0.5837   -1.4889 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375   -0.0429    0.9209 *   0  0  0  0  0  0  0  0  0  0  0  0
    2.1798   -0.2162    0.8889 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6694   -0.5059    2.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1543    5.3890   -2.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8580    3.6574   -2.3857 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9977    2.4259   -2.4326 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5474    2.4796   -1.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8334    1.7637   -0.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2073    2.0323    0.4935 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4184    1.4700    0.7560 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5458    1.7750    0.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5984    1.7409   -1.1480 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6346    2.3403    0.8138 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4836    3.2421    0.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4920    3.8731    0.8632 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6267    3.6375    2.2312 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7699    2.7481    2.8916 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7816    2.0559    2.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0118    0.9686    2.8777 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8235    1.0274    4.0828 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7386   -0.1906    2.2011 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9848   -2.3703    1.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1618   -0.4809   -1.2812 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8732    0.7205   -2.1355 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7510    0.6349    0.4260 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3163   -1.1585    0.3286 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2873    0.3349    2.8301 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772   -0.6001    2.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2109   -1.4682    2.5281 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2944    6.1493   -1.9250 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6944    6.1401   -2.6989 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7569    5.7270   -1.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1920    3.4563   -3.2563 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1525    3.1992   -1.6322 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8248    2.3320   -3.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5262    2.2524   -1.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2404    3.1396    0.6680 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3514    3.4693   -0.8978 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1560    4.5523    0.3476 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4116    4.1311    2.7780 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9136    2.5594    3.9433 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0346   -1.3918    3.8560 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5178   -2.0796    2.2773 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4710   -3.1574    3.1772 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8925   -1.3900    0.7199 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0052   -2.8915    1.1886 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7419   -2.9905    0.7028 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2 29  1  0  0  0  0
  3  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 32  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  8  9  1  0  0  0  0
  8 40  1  0  0  0  0
  8 41  1  0  0  0  0
  9 10  1  0  0  0  0
  9 42  1  0  0  0  0
  9 43  1  0  0  0  0
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 11 12  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 15 20  2  0  0  0  0
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 17 18  1  0  0  0  0
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 25 55  1  0  0  0  0
 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
 26 58  1  0  0  0  0
M  END
$$$$

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2021-07-25, 2850👍, 0💬