Molecule FYI-1007004

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A

Molecule Summary:

ID: FYI-1007004
Names:
InChIKey: UWHZIFQPPBDJPM-BQYQJAHWSA-N
SMILES: CCCCCC/C=C/CCCCCCCCCC(=O)O

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1007004 Edit

Molecule Structure InChIKey: UWHZIFQPPBDJPM-BQYQJAHWSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1007004
FYIcenter.com

 22 21  0  0  0  0  0  0  0  0999 V2000
   21.8238    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
   18.1865    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
   14.5492    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
   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
    8.4870    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
    4.8497    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
    2.4249    1.4000    0.0000 C   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
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007004-3D
FYIcenter.com

 54 53  0     0  0  0  0  0  0999 V2000
   -8.0960   -2.7586    0.3603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1581   -0.7174   -0.6315 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7432    1.1824    0.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0912    2.4900   -0.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2073    1.1097   -0.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3826    2.5453    0.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9046   -0.1902    0.2551 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1072    3.8186   -0.2248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3778   -0.2493   -0.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5548    3.9464    0.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7705   -0.4164    0.2563 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7419   -1.4603   -0.2981 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1564    0.9936   -0.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3776   -2.8678    0.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4893    2.9188   -0.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0547   -1.5495    0.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2218    2.0211    0.3755 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3681   -3.9058   -0.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9908   -5.3107    0.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5281   -1.5997   -0.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6830    1.1028    1.3736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1950    0.3296   -0.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250    3.3433    0.2567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1707    2.5790   -1.2684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7537    1.9601    0.2685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2640    1.2124   -1.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8994    1.6706   -0.1847 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542    2.4661    1.3208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3699   -1.0407   -0.1856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8358   -0.3022    1.3442 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0840    3.8748   -1.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5476    4.6883    0.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9123    0.6052    0.2699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4551   -0.1452   -1.2531 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9322    4.9361   -0.0204 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5695    3.9121    1.3606 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7518   -0.6477   -0.0799 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7656   -0.4687    1.3525 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622   -1.2184    0.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320   -1.4271   -1.3944 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1732    1.2253    0.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1620    1.0458   -1.2883 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3652   -3.1181   -0.1629 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3666   -2.8962    1.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5703    2.9180   -1.3874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5654   -2.3995   -0.2146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9591   -1.6631    1.3597 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    2.0322    1.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3774   -3.6735    0.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3972   -3.8706   -1.4454 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9991   -5.5863   -0.2805 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7128   -6.0366   -0.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9821   -5.3892    1.1838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0540   -2.7940    0.1523 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 54  1  0  0  0  0
  2 20  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  8  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  9  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 10  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 16  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 15  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 14  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 17  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 18  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 17  2  0  0  0  0
 15 45  1  0  0  0  0
 16 20  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 19  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
 19 51  1  0  0  0  0
 19 52  1  0  0  0  0
 19 53  1  0  0  0  0
M  END
$$$$

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2024-01-31, 633👍, 0💬