Molecule FYI-1009877

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A

Molecule Summary:

ID: FYI-1009877
Names:
InChIKey: OCNJRUIKKDPVLN-BQYQJAHWSA-N
SMILES: CCC/C=C/CCCCCCCCCC(=O)OCCCCC

Received at FYIcenter.com on: 2024-05-19

Molecule ID: FYI-1009877 Edit

Molecule Structure InChIKey: OCNJRUIKKDPVLN-BQYQJAHWSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1009877
FYIcenter.com

 22 21  0  0  0  0  0  0  0  0999 V2000
   24.2487    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   20.6114    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
   18.1866    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    0.0000    0.0000 O   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
    1.2124    2.1000    0.0000 C   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  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  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  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009877-3D
FYIcenter.com

 60 59  0  0  0  0  0  0  0  0999 V2000
    0.8601   -0.9773   -0.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3800   -0.9711   -0.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9117   -0.9131   -1.9940 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4114   -0.9020   -2.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1405    0.1109   -2.5046 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6398    0.1184   -2.5254 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1567    0.1711   -3.9618 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6828    0.1676   -3.9846 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2077    0.2235   -5.4134 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7340    0.2238   -5.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2567    0.2877   -6.8628 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7823    0.3035   -6.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2876    0.3808   -8.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8102    0.4182   -8.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3211    0.3392   -9.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6345    0.2781  -10.8066 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6764    0.1996   -9.7650 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.9069   -0.1803  -11.8610 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4858   -1.3122  -12.7129 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2556   -0.8040  -13.9269 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8144   -1.9636  -14.7391 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4944   -1.0228    0.4881 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9099   -1.7770   -1.6000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6428    0.9854   -2.9175 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0405   -0.7665   -2.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9919    0.9941   -1.9691 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7828    1.0721   -4.4633 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7783   -0.6911   -4.5263 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0569   -0.7379   -3.4904 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0624    1.0263   -3.4177 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8316    1.1280   -5.9101 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8302   -0.6386   -5.9785 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1084   -0.6827   -4.9409 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1115    1.0818   -4.8616 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8711    1.1889   -7.3550 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1683   -0.6054   -6.4111 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8836    1.2766   -8.8231 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9149   -0.4839   -8.8929 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2010   -0.4610   -7.8484 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1943    1.3223   -7.9031 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3692   -1.4535  -11.0136 H   0  0  0  0  0  0  0  0  0  0  0  0
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   20.0793   -0.1586  -13.6026 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5960   -0.2016  -14.5611 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5014   -2.5680  -14.1385 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.3627   -1.5880  -15.6089 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0110   -2.6145  -15.0975 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 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  2  0  0  0  0
  4 30  1  0  0  0  0
  5  6  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
 10 11  1  0  0  0  0
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 14 49  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 20 21  1  0  0  0  0
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 21 22  1  0  0  0  0
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 22 58  1  0  0  0  0
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 22 60  1  0  0  0  0
M  END
$$$$

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2024-05-29, 1246👍, 0💬