Molecule FYI-1009817

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A

Molecule Summary:

ID: FYI-1009817
Names:
InChIKey: KQGOGACAZUWACN-DTQAZKPQSA-N
SMILES: CCCCCCCC/C=C/C(=O)CCCCCCC(=O)OCC

Received at FYIcenter.com on: 2024-05-18

Molecule ID: FYI-1009817 Edit

Molecule Structure InChIKey: KQGOGACAZUWACN-DTQAZKPQSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1009817
FYIcenter.com

 23 22  0  0  0  0  0  0  0  0999 V2000
   24.2487    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    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
   12.1244    0.0000    0.0000 O   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
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   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  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009817-3D
FYIcenter.com

 59 58  0  0  0  0  0  0  0  0999 V2000
    5.5316    3.0162   -5.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9441    2.3611   -4.3298 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4722    3.4010   -3.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8853    2.7471   -2.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4097    3.7936   -1.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8249    3.1408    0.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3514    4.1867    1.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7655    3.5304    2.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2828    4.5450    3.5031 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5271    4.5035    4.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9624    5.5507    4.9696 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1382    6.2354    5.5730 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4570    5.7378    5.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7767    6.2246    6.5445 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2717    6.4249    6.7601 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5529    6.9125    8.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0506    7.1126    8.3969 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3938    7.6064    9.8076 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8955    7.7885    9.9302 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6940    7.5419    9.0433 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2149    8.1676   11.2053 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5290    7.7679   11.6331 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4560    6.3396   12.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1539    2.2649   -6.3338 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3828    3.5228   -6.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7428    3.7561   -5.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7158    1.6076   -4.5262 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0838    1.8399   -3.8939 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7002    4.1563   -3.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3320    3.9224   -3.7873 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6607    1.9942   -2.2245 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0275    2.2260   -1.5944 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6344    4.5462   -0.8733 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2669    4.3162   -1.5048 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5988    2.3868    0.0577 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9665    2.6191    0.6902 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5761    4.9414    1.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2083    4.7076    0.7765 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5325    2.7728    2.3383 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9049    3.0178    2.9795 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6045    5.3440    3.8017 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2333    3.7332    3.7347 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8012    6.4654    4.3908 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9601    4.7829    4.9452 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3944    5.4997    7.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2529    7.1700    6.7346 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6552    7.1548    6.0360 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8011    5.4812    6.5793 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1690    6.1818    8.9071 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0232    7.8557    8.3635 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4250    7.8331    7.6605 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5704    6.1657    8.2031 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0608    6.8723   10.5467 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9082    8.5656   10.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8656    8.4300   12.4376 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2489    7.8396   10.8056 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7482    6.2544   12.9678 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4395    5.9985   12.4714 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1038    5.6662   11.3464 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  8 39  1  0  0  0  0
  8 40  1  0  0  0  0
  9 10  2  0  0  0  0
  9 41  1  0  0  0  0
 10 11  1  0  0  0  0
 10 42  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
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 13 43  1  0  0  0  0
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 15 16  1  0  0  0  0
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 16 17  1  0  0  0  0
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 17 18  1  0  0  0  0
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 23 57  1  0  0  0  0
 23 58  1  0  0  0  0
 23 59  1  0  0  0  0
M  END
$$$$

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2024-05-29, 191👍, 0💬