Molecule FYI-1011380

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A

Molecule Summary:

ID: FYI-1011380
Names:
InChIKey: QYDYPVFESGNLHU-ZHACJKMWSA-N
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OC

Received at FYIcenter.com on: 2024-08-06

Molecule ID: FYI-1011380 Edit

Molecule Structure InChIKey: QYDYPVFESGNLHU-ZHACJKMWSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1011380
FYIcenter.com

 21 20  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
   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
    8.4871    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
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  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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  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
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 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011380-3D
FYIcenter.com

 57 56  0  0  0  0  0  0  0  0999 V2000
    3.5512   -0.0564    5.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4000   -0.0320    3.7653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9319   -1.4239    3.4467 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7825   -1.4024    2.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3072   -2.7973    1.8730 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1588   -2.7761    0.6122 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6805   -4.1724    0.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5330   -4.1486   -0.9577 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0487   -5.5136   -1.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3581   -5.7868   -1.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8707   -7.1546   -1.6437 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7229   -7.6834   -0.4985 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2397   -9.0795   -0.8255 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0938   -9.6138    0.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6154  -11.0123   -0.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4668  -11.5301    1.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0168  -12.9286    0.8821 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8495  -13.3843    2.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0529  -12.7332    3.0675 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3459  -14.6356    1.8276 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1452  -15.1245    2.9065 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1733    0.9453    5.2450 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1376   -0.4009    5.8808 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6951   -0.7278    4.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2355    0.6646    3.9013 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.3393    2.9263 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1868   -1.0347    1.3393 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4671   -3.4903    1.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9029   -3.1675    2.7164 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0006   -2.0849    0.7440 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5641   -2.4055   -0.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8364   -4.8615    0.1726 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2717   -4.5424    1.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3703   -3.4543   -0.8198 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9389   -3.7834   -1.8031 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3235   -6.3051   -1.4517 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0842   -4.9956   -1.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4634   -7.1177   -2.5648 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0310   -7.8370   -1.8205 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1318   -7.7140    0.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5686   -7.0083   -0.3183 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8313   -9.0483   -1.7483 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3942   -9.7548   -1.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5007   -9.6402    1.2386 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9363   -8.9343    0.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2099  -10.9835   -0.9251 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7721  -11.6904   -0.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8668  -11.5406    2.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2990  -10.8364    1.3250 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6465  -12.9205   -0.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
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   17.5013  -16.1245    2.6447 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5496  -15.1978    3.8222 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0145  -14.4776    3.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
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  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  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
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  2  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
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 11 41  1  0  0  0  0
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 12 13  1  0  0  0  0
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 14 15  1  0  0  0  0
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 14 48  1  0  0  0  0
 15 16  1  0  0  0  0
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 16 17  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 55  1  0  0  0  0
 21 56  1  0  0  0  0
 21 57  1  0  0  0  0
M  END
$$$$

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2024-08-14, 1601👍, 0💬