Molecule FYI-1013287

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A

Molecule Summary:

ID: FYI-1013287
Names:
InChIKey: ZPDZAHCZHWBKSF-UHFFFAOYSA-N
SMILES: C=CCCCCCCCCC(CCCCCCCCCCC)OC(C)=O

Received at FYIcenter.com on: 2024-12-04

Molecule ID: FYI-1013287 Edit

Molecule Structure InChIKey: ZPDZAHCZHWBKSF-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CCCCCCCCCC(CCCCCCCCCCC)OC(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013287
FYIcenter.com

 26 25  0  0  0  0  0  0  0  0999 V2000
   25.4611    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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  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  2  0  0  0  0
 16 14  1  0  0  0  0
 17 12  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  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013287-3D
FYIcenter.com

 72 71  0  0  1  0  0  0  0  0999 V2000
    7.3611    7.8606   -7.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2276    8.0781   -6.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9469    6.9819   -5.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5944    7.0039   -3.8007 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3110    5.8939   -3.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9421    5.9509   -1.5593 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6628    4.8556   -0.7899 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3275    4.8904    0.6983 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0057    3.7327    1.4338 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5418    3.7394    1.4104 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2373    4.9791    1.9981 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.8815    5.2013    3.4736 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5564    6.4564    4.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0608    7.7654    3.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5492    7.9506    3.5344 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1318    7.9724    4.9963 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6295    8.0876    5.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2899    8.0979    6.6232 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7922    8.2153    6.8269 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4822    8.2371    8.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9849    8.3622    8.5526 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6820    8.3876   10.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6721    4.7583    1.9530 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3205    5.0805    0.8037 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7866    4.7808    0.9051 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7847    5.5267   -0.2059 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8704    7.9735   -3.3668 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3966    6.0023   -3.1586 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8579    5.8383   -1.4411 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2154    6.9300   -1.1486 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7413    4.9791   -0.9316 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3880    3.8765   -1.2007 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6741    2.7971    0.9638 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6405    3.6938    2.4645 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8863    3.6072    0.3824 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8998    2.8522    1.9385 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9725    5.8654    1.4109 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2158    4.3399    4.0656 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7981    5.2580    3.6126 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6427    6.3923    3.9310 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3902    6.4790    5.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3502    7.8130    2.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5637    8.6083    3.9071 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0184    7.1515    3.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2496    8.8834    3.0433 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6324    8.8034    5.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4381    7.0522    5.5042 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1417    7.2364    4.6517 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2714    9.0022    4.6574 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8015    8.9356    7.1132 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6577    7.1778    7.0975 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2847    7.3701    6.3464 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4256    9.1322    6.3501 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0066    9.0776    8.7875 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8597    7.3194    8.7837 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4627    7.5198    8.0847 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6100    9.2799    8.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0275    7.4676   10.5210 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6054    8.4798   10.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1788    9.2351   10.5217 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1150    4.7519    1.9499 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3479    5.5728    0.4086 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0017    3.8178    0.4289 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 27  1  0  0  0  0
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  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
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  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
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 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
 15 53  1  0  0  0  0
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 16 56  1  0  0  0  0
 17 18  1  0  0  0  0
 17 57  1  0  0  0  0
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 18 19  1  0  0  0  0
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 18 60  1  0  0  0  0
 19 20  1  0  0  0  0
 19 61  1  0  0  0  0
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 20 21  1  0  0  0  0
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 21 65  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 70  1  0  0  0  0
 25 71  1  0  0  0  0
 25 72  1  0  0  0  0
M  END
$$$$

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2024-12-18, 1107👍, 0💬