Molecule FYI-1007231

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A

Molecule Summary:

ID: FYI-1007231
Names:
InChIKey: FVNFTAQJARARPD-UHFFFAOYSA-N
SMILES: O=C(O)CCCCCCCCCCCCCCCCCc1ccccc1

Received at FYIcenter.com on: 2024-02-09

Molecule ID: FYI-1007231 Edit

Molecule Structure InChIKey: FVNFTAQJARARPD-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)CCCCCCCCCCCCCCCCCc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007231
FYIcenter.com

 26 26  0  0  0  0  0  0  0  0999 V2000
   24.2487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  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  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
 17 16  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  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007231-3D
FYIcenter.com

 66 66  0  0  0  0  0  0  0  0999 V2000
    2.6792   -0.5441    0.9544 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1452    0.0580    0.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8049    0.1212   -0.0781 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9174    0.7512   -1.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4329    0.6277   -0.8706 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1955    1.3405   -1.9767 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917    1.1930   -1.7494 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4565    1.9019   -2.8494 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9481    1.7533   -2.6204 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7107    2.4649   -3.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2023    2.3152   -3.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9649    3.0286   -4.5933 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4565    2.8804   -4.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2189    3.5938   -5.4645 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7105    3.4456   -5.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4725    4.1591   -6.3357 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9641    4.0111   -6.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7259    4.7249   -7.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2178    4.5756   -6.9789 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9805    5.2938   -8.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4617    5.1594   -7.8866 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1315    4.0672   -8.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5204    3.9937   -8.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2433    5.0137   -7.7614 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5783    6.1137   -7.2229 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1862    6.1485   -7.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4155    0.6032   -0.8272 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6554    1.8160   -1.0615 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6541    0.3102   -2.0296 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292   -0.4322   -0.8603 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7301    1.0554    0.0989 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9262    2.4044   -1.9940 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9253    0.9175   -2.9528 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9638    0.1301   -1.7314 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9647    1.6149   -0.7739 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1852    2.9647   -2.8661 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1844    1.4789   -3.8243 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2196    0.6905   -2.6048 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2201    2.1748   -1.6448 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4399    3.5279   -3.7355 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4374    2.0445   -4.6966 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4731    1.2523   -3.4806 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4753    2.7344   -2.5175 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6930    4.0912   -4.6074 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6929    2.6084   -5.5694 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7285    1.8178   -4.3509 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7285    3.3006   -3.3889 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9472    4.6564   -5.4786 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9472    3.1737   -6.4406 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9826    2.3830   -5.2221 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9826    3.8658   -4.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2008    5.2217   -6.3498 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2008    3.7388   -7.3118 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2357    2.9483   -6.0939 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2363    4.4304   -5.1313 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4525    5.7874   -7.2226 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4548    4.3024   -8.1835 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4806    3.5111   -6.9576 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4879    4.9912   -6.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7042    6.3579   -8.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7075    4.9064   -9.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.5738    3.2792   -8.9432 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.0376    3.1522   -8.8287 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.3268    4.9508   -7.6959 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1458    6.9554   -6.8374 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.6707    6.9612   -6.7095 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  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
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
 10 40  1  0  0  0  0
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 15 16  1  0  0  0  0
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 16 17  1  0  0  0  0
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 17 18  1  0  0  0  0
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 17 55  1  0  0  0  0
 18 19  1  0  0  0  0
 18 56  1  0  0  0  0
 18 57  1  0  0  0  0
 19 20  1  0  0  0  0
 19 58  1  0  0  0  0
 19 59  1  0  0  0  0
 20 21  1  0  0  0  0
 20 60  1  0  0  0  0
 20 61  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  2  0  0  0  0
 22 23  2  0  0  0  0
 22 62  1  0  0  0  0
 23 24  1  0  0  0  0
 23 63  1  0  0  0  0
 24 25  2  0  0  0  0
 24 64  1  0  0  0  0
 25 26  1  0  0  0  0
 25 65  1  0  0  0  0
 26 66  1  0  0  0  0
M  END
$$$$

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