Molecule FYI-1003638

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A

Molecule Summary:

ID: FYI-1003638
Names:
InChIKey: DONHHCGFNMNGPH-GYIPPJPDSA-N
SMILES: CCCCC/C=C/CCCC/C=C/CCCCCCC(=O)O

Received at FYIcenter.com on: 2023-07-14

Molecule ID: FYI-1003638 Edit

Molecule Structure InChIKey: DONHHCGFNMNGPH-GYIPPJPDSA-N

Molecule Structure SMILES String: CCCCC/C=C/CCCC/C=C/CCCCCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003638
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  2  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
 12 11  1  0  0  0  0
 13 12  2  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  2  0  0  0  0
 22 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003638-3D
FYIcenter.com

 58 57  0  0  0  0  0  0  0  0999 V2000
    1.0075   -0.9412    0.7104 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5260   -0.9518    0.7018 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0618   -2.2849    0.1887 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5882   -2.2947    0.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1147   -3.6310   -0.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6102   -3.6508   -0.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3181   -3.8381   -1.4649 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8124   -3.8565   -1.4736 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3380   -5.1918   -1.9835 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8622   -5.1951   -1.9852 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3894   -6.5305   -2.4935 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8831   -6.5467   -2.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5891   -7.4332   -1.7825 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0842   -7.4573   -1.7815 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6071   -8.7976   -2.2878 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1316   -8.8171   -2.2832 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6651  -10.1560   -2.7891 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1903  -10.1572   -2.7774 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7657  -11.4803   -3.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2759  -11.4539   -3.2549 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9619  -10.5078   -2.8888 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8199  -12.6113   -3.6913 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6368    0.0193    1.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6881   -2.4679   -0.8262 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6909   -3.1008    0.8213 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9623   -2.1102    1.1974 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9597   -1.4796   -0.4517 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7310   -3.8126   -1.3398 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7518   -4.4448    0.3086 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1280   -3.5060    0.6022 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8004   -3.9825   -2.4097 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1953   -3.6755   -0.4628 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1782   -3.0439   -2.1118 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9667   -5.3780   -2.9994 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9666   -6.0078   -1.3496 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2336   -5.0077   -0.9691 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2331   -4.3796   -2.6192 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0235   -6.7132   -3.5105 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0074   -7.3384   -1.8590 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3988   -5.8077   -3.1078 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0663   -8.1676   -1.1744 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4450   -7.2757   -0.7627 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4713   -6.6502   -2.4135 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2394   -8.9806   -3.3055 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2266   -9.6096   -1.6555 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4998   -8.6334   -1.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5129   -8.0051   -2.9152 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2994  -10.3390   -3.8067 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2862  -10.9677   -2.1563 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5480   -9.9623   -1.7584 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5611   -9.3357   -3.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4374  -11.6637   -4.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4242  -12.2995   -2.6361 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1576  -13.2797   -3.9513 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  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
  4  5  1  0  0  0  0
  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  2  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 11 12  1  0  0  0  0
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 12 13  2  0  0  0  0
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 15 16  1  0  0  0  0
 15 48  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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 19 57  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 58  1  0  0  0  0
M  END
$$$$

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2023-07-29, 2328👍, 0💬