Molecule FYI-1015455

A

Molecule Summary:

ID: FYI-1015455
Names:
InChIKey: QZCMHXPXGACWLJ-QWAPPMFBSA-N
SMILES: CCCCCC(=O)/C=C/C=C\\CCCCCCCCCC(=O)O

Received at FYIcenter.com on: 2025-09-02

Molecule ID: FYI-1015455 Edit

Molecule Structure InChIKey: QZCMHXPXGACWLJ-QWAPPMFBSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1015455
FYIcenter.com

 23 22  0  0  0  0  0  0  0  0999 V2000
   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
   18.1866    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    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
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 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015455-3D
FYIcenter.com

 57 56  0  0  0  0  0  0  0  0999 V2000
    1.0410   -1.4408    0.6132 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5593   -1.4213    0.6241 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0877   -0.4839    1.7077 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6125   -0.4688    1.7147 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1589    0.4623    2.7923 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6723    0.4610    2.7787 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3174    0.2872    1.7502 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3469    0.7190    4.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6835    0.7220    4.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4666    0.9493    5.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8089    0.9500    5.3195 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6425    0.7158    4.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1336    0.7689    4.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8942    0.5202    3.0754 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3910    0.5662    3.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1501    0.3196    2.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6494    0.3659    2.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4196    0.1196    0.9889 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9186    0.1685    1.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7373   -0.0725   -0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2172   -0.0144    0.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6948    0.1946    1.4062 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9950   -0.2215   -0.7844 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6748   -2.1156   -0.1661 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7099    0.5312    1.5342 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9782   -0.1550    0.7289 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9936   -1.4843    1.8821 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8024    0.1373    3.7756 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8216    1.4914    2.6231 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7364    0.8883    4.9590 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2264    0.5417    3.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9360    1.1277    6.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3237    1.1314    6.2597 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3990    1.4761    3.3413 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3988   -0.2699    3.6761 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4077    0.0117    5.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4077    1.7483    4.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6175    1.2758    2.3290 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.8715   -0.6574    1.6170 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9209   -0.3906    3.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1446    0.8783    0.2464 H   0  0  0  0  0  0  0  0  0  0  0  0
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   20.5053    0.6947   -0.7573 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5035   -1.0592   -0.4244 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.4973   -0.3774   -1.6084 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  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  2  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
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 16 17  1  0  0  0  0
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 16 48  1  0  0  0  0
 17 18  1  0  0  0  0
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 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 57  1  0  0  0  0
M  END
$$$$

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2025-11-06, 760👍, 0💬