Molecule FYI-1015610

A

Molecule Summary:

ID: FYI-1015610
Names:
InChIKey: UPRHTUGKKQIKKR-UHFFFAOYSA-N
SMILES: C=CCc1ccc(OC(=O)CCCCCCC)c(OC(=O)CCCCCCC)c1

Received at FYIcenter.com on: 2025-09-13

Molecule ID: FYI-1015610 Edit

Molecule Structure InChIKey: UPRHTUGKKQIKKR-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CCc1ccc(OC(=O)CCCCCCC)c(OC(=O)CCCCCCC)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015610
FYIcenter.com

 29 29  0  0  0  0  0  0  0  0999 V2000
    4.8498    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3367   10.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491   11.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1245    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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  5 11  1  0  0  0  0
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 19 20  1  0  0  0  0
 10 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015610-3D
FYIcenter.com

 67 67  0  0  0  0  0  0  0  0999 V2000
    1.8544    0.6807    3.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6364   -0.2569    2.8073 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0438   -0.2855    1.3617 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5358   -0.1404    1.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0696    1.1511    1.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4177    1.3437    0.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2689    0.2443    0.6763 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5878    0.3952    0.2012 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3612    1.5056    0.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6951    1.3936   -0.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7734    2.3634   -2.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6131    2.1003   -3.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8488    3.2319   -4.4937 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6930    2.9626   -5.9866 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8851   -2.1662    1.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4249   -1.2092    2.0197 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5618   -3.5135    1.3978 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4069   -1.2460    1.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0005   -1.0756    3.4355 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5418    0.5245    0.8096 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7809    2.4738   -1.8757 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3813    4.1786   -4.3406 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8598    3.3386   -4.0312 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1536    2.0212   -6.1439 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6797    2.8539   -6.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9367    4.2014   -6.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8405    3.8982   -7.7325 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4695    5.0441   -6.5345 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0668   -4.1897    2.1026 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3 34  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  2  0  0  0  0
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 23 24  1  0  0  0  0
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 29 67  1  0  0  0  0
M  END
$$$$

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2025-09-24, 983👍, 0💬