Molecule FYI-1009943

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A

Molecule Summary:

ID: FYI-1009943
Names:
InChIKey: LQJBNNIYVWPHFW-VAWYXSNFSA-N
SMILES: CCCCCCCCCC/C=C/CCCCCCCC(=O)O

Received at FYIcenter.com on: 2024-05-20

Molecule ID: FYI-1009943 Edit

Molecule Structure InChIKey: LQJBNNIYVWPHFW-VAWYXSNFSA-N

Molecule Structure SMILES String: CCCCCCCCCC/C=C/CCCCCCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1009943
FYIcenter.com

 22 21  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
   23.0363    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    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
   16.9742    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    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
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  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
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 13 12  1  0  0  0  0
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 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  2  0  0  0  0
 22 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009943-3D
FYIcenter.com

 60 59  0  0  0  0  0  0  0  0999 V2000
    0.8874    0.0172   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4030    0.0193   -0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9253   -0.9233   -1.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4448   -0.9247   -1.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9572   -1.8668   -2.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4755   -1.8694   -2.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9871   -2.8122   -3.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5056   -2.8166   -3.2651 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0198   -3.7590   -4.3425 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5408   -3.7606   -4.3466 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0607   -4.6787   -5.4026 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8404   -5.7315   -5.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3536   -6.6541   -6.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8678   -8.0751   -5.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3991   -9.0036   -7.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5840   -2.8820   -1.9895 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8489   -0.8546   -2.3670 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6088   -2.4995   -4.2374 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6117   -3.8263   -3.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8815   -3.1298   -2.2833 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8794   -1.8012   -3.4467 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6372   -3.4438   -5.3216 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6395   -4.7720   -4.1588 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
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  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
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  7 36  1  0  0  0  0
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  8  9  1  0  0  0  0
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 22 60  1  0  0  0  0
M  END
$$$$

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2024-05-29, 185👍, 0💬