Molecule FYI-1012984

A

Molecule Summary:

ID: FYI-1012984
Names:
InChIKey: JAZBEHYOTPTENJ-JLNKQSITSA-N
SMILES: CC/C=C\\C\\C=C/C/C=C\\C\\C=C/C/C=C\\CCCC(=O)O

Received at FYIcenter.com on: 2024-11-04

Molecule ID: FYI-1012984 Edit

Molecule Structure InChIKey: JAZBEHYOTPTENJ-JLNKQSITSA-N

Molecule Structure SMILES String: CC/C=C\C\C=C/C/C=C\C\C=C/C/C=C\CCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1012984
FYIcenter.com

 22 21  0  0  0  0  0  0  0  0999 V2000
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    4.8497    4.9000    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
    6.0622    7.0000    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
    4.8497    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012984-3D
FYIcenter.com

 52 51  0     0  0  0  0  0  0999 V2000
    3.6409    1.1211   -2.5384 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4305    0.6005   -0.4663 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3944   -1.4274   -0.2127 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5601   -2.7117   -0.2955 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8673   -0.8862   -1.5614 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1570   -3.2337    1.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0564   -2.0521    1.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0102   -2.9383    1.6432 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5056   -0.9685   -1.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7293    0.3409   -1.4338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6740   -2.3704   -0.8592 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8219   -0.2516   -1.4327 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0677    1.9394   -0.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2410    1.3063    2.5594 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138    2.4072    1.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5406    1.2350    4.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  4  6  1  0  0  0  0
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  5 28  1  0  0  0  0
  6  8  2  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
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  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 12  2  0  0  0  0
  9 33  1  0  0  0  0
 10 12  1  0  0  0  0
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 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
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 17 18  2  0  0  0  0
 17 43  1  0  0  0  0
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 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
M  END
$$$$

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2024-11-23, 795👍, 0💬