Molecule FYI-1009531

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A

Molecule Summary:

ID: FYI-1009531
Names:
InChIKey: AWMXPBUJOVHPKE-UHFFFAOYSA-N
SMILES: C=C(CCCCCCCC)C(=O)CCCCCCCC(=O)OC

Received at FYIcenter.com on: 2024-05-13

Molecule ID: FYI-1009531 Edit

Molecule Structure InChIKey: AWMXPBUJOVHPKE-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(CCCCCCCC)C(=O)CCCCCCCC(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1009531
FYIcenter.com

 23 22  0  0  0  0  0  0  0  0999 V2000
   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
   20.6113    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    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
   15.7616    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
   13.3368    3.5000    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
   12.1244    0.0000    0.0000 O   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
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    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
    2.4249    0.0000    0.0000 O   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    1.4000    0.0000 C   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  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
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 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
 23 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009531-3D
FYIcenter.com

 59 58  0  0  0  0  0  0  0  0999 V2000
    0.9756   -0.0693   -0.3742 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2558   -0.0315    0.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9347    1.2310    0.5004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2372    1.8583    1.7043 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9426    3.1302    2.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2027    3.7153    3.3584 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8783    4.9903    3.8373 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1353    5.5690    5.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8126    6.8456    5.5159 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0761    7.4280    6.7071 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9925   -1.3404    0.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3670   -2.4008    0.0872 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5095   -1.3202    0.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0595   -2.5515   -0.6686 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5845   -2.5495   -0.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1152   -3.7850   -1.4007 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6430   -3.7989   -1.4179 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1559   -5.0389   -2.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6825   -5.0984   -2.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278   -6.3442   -2.9120 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3789   -7.1785   -3.3953 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4899   -6.4149   -2.9585 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9665   -7.5796   -3.6366 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3536    0.8189   -0.4039 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5031   -1.0004   -0.6802 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2155    1.1396    2.5332 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1974    2.1020    1.4576 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9822    2.9119    2.4358 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1761    2.9802    4.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1622    3.9277    3.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9008    5.7243    3.0228 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    4.7761    4.1126 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1092    4.8313    5.8456 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0949    5.7803    4.7569 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8381    7.5826    4.7047 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8512    6.6331    5.7952 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0420    7.6709    6.4430 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5689    8.3433    7.0461 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9522   -1.6442   -1.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7324   -3.8034   -2.4289 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7418   -4.6892   -0.9038 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0229   -3.7841   -0.3894 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0137   -2.8961   -1.9177 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7590   -5.0533   -3.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7682   -5.9373   -1.6437 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0858   -5.1209   -1.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0597   -7.5602   -3.6305 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6254   -7.5826   -4.6770 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6325   -8.4856   -3.1203 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  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
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 11 12  2  0  0  0  0
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 22 23  1  0  0  0  0
 23 57  1  0  0  0  0
 23 58  1  0  0  0  0
 23 59  1  0  0  0  0
M  END
$$$$

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2024-05-16, 1268👍, 0💬