Molecule FYI-1002984

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A

Molecule Summary:

ID: FYI-1002984
Names:
InChIKey: VACPFCNINJZVGZ-UHFFFAOYSA-N
SMILES: C#CC#CCCCCCC(=O)CCCCCCCCCCC

Received at FYIcenter.com on: 2023-05-04

Molecule ID: FYI-1002984 Edit

Molecule Structure InChIKey: VACPFCNINJZVGZ-UHFFFAOYSA-N

Molecule Structure SMILES String: C#CC#CCCCCCC(=O)CCCCCCCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1002984
FYIcenter.com

 22 21  0  0  0  0  0  0  0  0999 V2000
   24.2487    2.8000    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    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
   13.3368    2.1000    0.0000 O   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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  0  0  0  0
  3  2  1  0  0  0  0
  4  3  3  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  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  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  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002984-3D
FYIcenter.com

 56 55  0  0  0  0  0  0  0  0999 V2000
    9.2480   -7.0308   -3.5349 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2291   -5.8592   -3.8263 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2093   -4.3585   -4.1913 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1936   -3.0912   -4.4975 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1753   -1.6139   -4.8546 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8345   -0.8128   -3.7513 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8184    0.6676   -4.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4791    1.4707   -2.9984 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4772    2.9539   -3.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1436    3.7134   -2.1991 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5043    4.1418   -1.2387 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6346    3.9216   -2.3123 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9065    5.2216   -3.0454 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3979    5.4685   -3.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6368    6.7783   -3.9201 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1269    7.0283   -4.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3671    8.3343   -4.7986 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8584    8.5802   -4.9417 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1008    9.8880   -5.6758 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5931   10.1362   -5.8202 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8457   11.4458   -6.5531 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3350   11.6909   -6.6957 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2586   -8.0651   -3.2891 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1352   -1.2996   -4.9977 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7014   -1.4755   -5.8059 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8672   -1.1552   -3.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3107   -0.9804   -2.8012 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7834    1.0038   -4.2471 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3462    0.8283   -5.0535 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5082    1.1206   -2.8560 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9528    1.2967   -2.0529 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4547    3.3279   -3.4438 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0177    3.1497   -4.2546 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0724    3.0723   -2.8479 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0655    3.9407   -1.3052 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4439    6.0564   -2.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4448    5.1942   -4.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8671    4.6428   -3.7350 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8676    5.5080   -2.1937 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1703    7.6071   -3.3727 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1674    6.7439   -4.9113 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5929    6.1999   -4.6107 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5954    7.0659   -3.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9021    9.1631   -4.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8973    8.2976   -5.7893 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3220    7.7508   -5.4902 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3274    8.6142   -3.9505 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6348   10.7147   -5.1256 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6294    9.8513   -6.6657 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.0545    9.3052   -6.3681 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.0604   10.1660   -4.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3857   12.2759   -6.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3798   11.4147   -7.5450 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.8134   11.7466   -5.7127 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5159   12.6315   -7.2221 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.8076   10.8813   -7.2611 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  3  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
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 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 17  1  0  0  0  0
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 16 43  1  0  0  0  0
 17 18  1  0  0  0  0
 17 44  1  0  0  0  0
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 18 19  1  0  0  0  0
 18 46  1  0  0  0  0
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 19 20  1  0  0  0  0
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 20 21  1  0  0  0  0
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 21 22  1  0  0  0  0
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 21 53  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
 22 56  1  0  0  0  0
M  END
$$$$

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2023-05-31, 2620👍, 0💬