Molecule FYI-1004174

A

Molecule Summary:

ID: FYI-1004174
Names:
InChIKey: ABTUXHHGWUMMDY-ZMDWBYSWSA-N
SMILES: CCCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC(=O)OC

Received at FYIcenter.com on: 2023-08-20

Molecule ID: FYI-1004174 Edit

Molecule Structure InChIKey: ABTUXHHGWUMMDY-ZMDWBYSWSA-N

Molecule Structure SMILES String: CCCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1004174
FYIcenter.com

 25 24  0  0  0  0  0  0  0  0999 V2000
   27.8860    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6735    1.4000    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    1.4000    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
   21.8238    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   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    1.4000    0.0000 C   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  2  0  0  0  0
  9  8  1  0  0  0  0
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 11 10  2  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004174-3D
FYIcenter.com

 63 62  0  0  0  0  0  0  0  0999 V2000
    1.2489   -0.2480  -10.8792 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -0.2415  -10.9242 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3480    0.3113   -9.6265 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8726    0.3199   -9.6698 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4502    0.8747   -8.3709 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9761    0.8791   -8.4198 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5429    1.4256   -7.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167    2.5190   -7.0976 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8734    3.0757   -5.8258 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3684    3.0937   -5.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0968    4.2125   -5.7401 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5929    4.2271   -5.7568 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1046    5.0743   -6.8786 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8832    6.1515   -6.6911 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4015    7.0133   -7.8016 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9009    7.0423   -7.8152 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6284    8.1606   -7.6845 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1272    8.1889   -7.7122 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6968    8.7462   -6.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2223    8.7577   -6.4544 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8480    9.3044   -5.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3581    9.2925   -5.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9893    8.9024   -6.2509 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9787    1.3309   -9.4608 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2150    0.9291  -10.5151 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2443   -0.6991   -9.8327 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0775    1.8943   -8.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3143    1.4662   -9.2823 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3490   -0.1420   -8.5606 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3003    0.8946   -6.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9970    3.2147   -5.8743 H   0  0  0  0  0  0  0  0  0  0  0  0
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   20.5520    8.6866   -4.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
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   24.7343    8.7734   -4.2923 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 25 61  1  0  0  0  0
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 25 63  1  0  0  0  0
M  END
$$$$

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2023-08-25, 3074👍, 0💬