Molecule FYI-1014779

A

Molecule Summary:

ID: FYI-1014779
Names:
InChIKey: ZMEDVAPTSRMJFD-UHFFFAOYSA-N
SMILES: Oc4cc(CCc1ccccc1)c(CCc2ccccc2)c(CCc3ccccc3)c4

Received at FYIcenter.com on: 2025-05-22

Molecule ID: FYI-1014779 Edit

Molecule Structure InChIKey: ZMEDVAPTSRMJFD-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc4cc(CCc1ccccc1)c(CCc2ccccc2)c(CCc3ccccc3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014779
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    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
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    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
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  3  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 10 26  1  0  0  0  0
 10 22  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 13 31  1  0  0  0  0
 13 27  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014779-3D
FYIcenter.com

 61 64  0     0  0  0  0  0  0999 V2000
   -1.7846   -4.1754   -2.7034 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7427   -0.4768   -1.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2407   -1.4392   -1.3632 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6906   -1.1608   -1.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1481    0.2558   -1.1963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3550    1.9934   -1.6062 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1717   -1.8385    0.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2530   -0.2156   -0.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4015    3.6941   -1.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6047   -2.3986    0.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9216   -0.4575    1.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6 35  1  0  0  0  0
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  7 36  1  0  0  0  0
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 31 61  1  0  0  0  0
M  END
$$$$

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2025-06-21, 1762👍, 0💬