Molecule FYI-1003710

A

Molecule Summary:

ID: FYI-1003710
Names:
InChIKey: SHGAZHPCJJPHSC-YCNIQYBTSA-N
SMILES: C/C(=C\\C=C\\C(C)=C\\C(=O)O)/C=C/C1=C(C)CCCC1(C)C

Received at FYIcenter.com on: 2023-07-20

Molecule ID: FYI-1003710 Edit

Molecule Structure InChIKey: SHGAZHPCJJPHSC-YCNIQYBTSA-N

Molecule Structure SMILES String: C/C(=C\C=C\C(C)=C\C(=O)O)/C=C/C1=C(C)CCCC1(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1003710
FYIcenter.com

 22 22  0  0  0  0  0  0  0  0999 V2000
   13.3368    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7244    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  1  0  0  0  0
 10  3  1  0  0  0  0
 11 10  2  0  0  0  0
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 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 16  1  0  0  0  0
 22 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003710-3D
FYIcenter.com

 50 50  0     0  0  0  0  0  0999 V2000
    7.9777    1.3595    1.2054 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0170   -0.1977   -0.4568 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8986   -0.8277    0.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2894   -0.1446    0.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2322    1.3333    0.6831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7885    0.0349   -0.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2935    2.0538   -0.2729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9888    1.3311   -0.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0439   -2.2043   -0.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5700   -1.0618    1.9431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5082   -0.6273   -0.3826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9820    2.2288   -1.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0543   -2.0586   -0.7984 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9979   -0.1363   -0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2798   -1.5465   -0.4657 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9399    0.7688    0.3194 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4034    0.5524    0.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9695   -1.6851   -1.5070 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6419    1.7555    0.6714 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9541    1.2649    1.2192 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1 50  1  0  0  0  0
  2 22  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  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  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 12  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
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 10 34  1  0  0  0  0
 11 13  2  0  0  0  0
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 12 37  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 39  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 43  1  0  0  0  0
 17 18  2  0  0  0  0
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 18 19  1  0  0  0  0
 18 45  1  0  0  0  0
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 19 21  2  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 22  1  0  0  0  0
 21 49  1  0  0  0  0
M  END
$$$$

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2023-07-29, 957👍, 0💬