Molecule FYI-1012284

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A

Molecule Summary:

ID: FYI-1012284
Names:
InChIKey: YJGHMLJGPSVSLF-UHFFFAOYSA-N
SMILES: CCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCC

Received at FYIcenter.com on: 2024-08-22

Molecule ID: FYI-1012284 Edit

Molecule Structure InChIKey: YJGHMLJGPSVSLF-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1012284
FYIcenter.com

 28 27  0  0  0  0  0  0  0  0999 V2000
   30.3109    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6735    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    2.1000    0.0000 O   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
   16.9740    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 O   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 O   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
    8.4871    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  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
 16 15  1  0  0  0  0
 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
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012284-3D
FYIcenter.com

 70 69  0  0  0  0  0  0  0  0999 V2000
    8.7977    6.4680  -11.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2649    6.6983   -9.6018 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8446    5.6779   -8.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3164    5.9018   -7.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8986    4.8775   -6.2375 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3619    5.1179   -4.8270 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9158    4.1216   -3.8116 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4135    4.2115   -3.7255 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0236    5.2463   -3.4280 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9973    3.0298   -4.0452 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4330    3.0311   -4.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9900    3.6524   -5.2991 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5601    2.9155   -6.4474 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0797    3.4770   -7.6573 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6070    3.4500   -7.6656 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1031    2.1174   -7.5157 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6786    1.2777   -8.5912 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2222   -0.1257   -8.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6523   -0.1019   -8.3672 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2267   -0.0165   -9.5924 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6060    0.0228  -10.6607 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7244    0.0534   -9.4969 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2649    1.3350  -10.1267 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7309    2.5941   -9.4435 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2965    3.8491  -10.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7698    5.1147   -9.4368 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3348    6.3709  -10.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8056    7.6250   -9.4211 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3774    7.2031  -11.6987 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5311    5.4687  -11.3648 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8882    6.5611  -11.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1708    6.6273   -9.6127 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5209    7.7142   -9.2786 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9390    5.7503   -8.6235 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5872    4.6645   -8.9559 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6163    6.1381   -4.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6274    3.1014   -4.0853 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000    4.3273   -2.8195 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7766    1.9975   -3.9330 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7927    3.5809   -3.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0787    3.6412   -5.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6566    4.6896   -5.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7093    4.4964   -7.7811 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6854    2.9050   -8.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0015    4.0510   -6.8454 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0017    3.8902   -8.5828 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0359    1.7033   -9.5349 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5879    1.2072   -8.6283 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8745   -0.7843   -9.1981 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8612   -0.5407   -7.4469 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1373   -0.8209  -10.0112 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0243   -0.0083   -8.4464 H   0  0  0  0  0  0  0  0  0  0  0  0
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   20.3605    1.3294  -10.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0006    2.5825   -8.3804 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6367    2.6157   -9.4995 H   0  0  0  0  0  0  0  0  0  0  0  0
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   20.3915    3.8316  -10.0553 H   0  0  0  0  0  0  0  0  0  0  0  0
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   17.6745    5.1312   -9.4925 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0645    6.3902  -11.1591 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4297    6.3638  -10.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7138    7.6724   -9.4873 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2157    8.5188   -9.9006 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0862    7.6459   -8.3631 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5 38  1  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  6 40  1  0  0  0  0
  6 41  1  0  0  0  0
  7  8  1  0  0  0  0
  7 42  1  0  0  0  0
  7 43  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
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 14 15  1  0  0  0  0
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 15 50  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
 18 19  1  0  0  0  0
 18 54  1  0  0  0  0
 18 55  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 56  1  0  0  0  0
 22 57  1  0  0  0  0
 23 24  1  0  0  0  0
 23 58  1  0  0  0  0
 23 59  1  0  0  0  0
 24 25  1  0  0  0  0
 24 60  1  0  0  0  0
 24 61  1  0  0  0  0
 25 26  1  0  0  0  0
 25 62  1  0  0  0  0
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 26 27  1  0  0  0  0
 26 64  1  0  0  0  0
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 28 68  1  0  0  0  0
 28 69  1  0  0  0  0
 28 70  1  0  0  0  0
M  END
$$$$

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2024-09-12, 598👍, 0💬