Molecule FYI-1005788

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A

Molecule Summary:

ID: FYI-1005788
Names:
InChIKey: DQJQIZXJXVRRSY-ONEGZZNKSA-N
SMILES: CC/C=C/CCCCCCCCCCCC(=O)OCCO

Received at FYIcenter.com on: 2023-11-15

Molecule ID: FYI-1005788 Edit

Molecule Structure InChIKey: DQJQIZXJXVRRSY-ONEGZZNKSA-N

Molecule Structure SMILES String: CC/C=C/CCCCCCCCCCCC(=O)OCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1005788
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
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   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 O   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  2  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  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005788-3D
FYIcenter.com

 55 54  0  0  0  0  0  0  0  0999 V2000
    3.4504   -2.2555    0.6750 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9660   -0.8350    0.4479 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4823    0.0798    1.5122 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2581    1.1398    1.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7780    2.0444    2.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2992    2.0470    2.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8153    2.9691    3.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3341    2.9751    3.4285 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8471    3.8973    4.5206 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3660    3.9020    4.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8785    4.8244    5.6184 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3974    4.8338    5.6288 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9105    5.7620    6.7265 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4319    5.7803    6.7308 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9932    6.7041    7.8055 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5118    6.6726    7.7725 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1548    5.9697    7.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0537    7.4148    8.7773 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3794    7.0094    9.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4866    7.3808    8.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5338    8.7913    8.0384 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0658   -2.9133   -0.1097 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1065   -2.6393    1.6415 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5447   -2.3065    0.6570 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8714   -0.8076    0.4557 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2920   -0.4983   -0.5436 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2050   -0.1436    2.5410 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5393    1.3664    0.2256 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4112    1.7300    3.3056 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4002    3.0575    2.1445 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6827    2.3790    1.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6800    1.0301    2.4923 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4406    2.6376    4.3971 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4405    3.9871    3.2581 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7108    3.3076    2.4534 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7106    1.9580    3.5932 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4716    3.5655    5.4964 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4716    4.9149    4.3567 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7408    4.2337    3.5502 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7409    2.8842    4.6897 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5011    4.4916    6.5932 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5010    5.8410    5.4533 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7730    5.1624    4.6520 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7733    3.8159    5.7929 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5333    5.4267    7.6973 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5278    6.7764    6.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7981    6.0959    5.7460 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8013    4.7581    6.8896 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6587    6.3607    8.7923 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6435    7.7311    7.6480 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3740    5.9278    9.3752 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5567    7.5007   10.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3414    6.9268    7.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4551    7.0475    8.6026 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6498    9.0297    7.7023 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  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  2  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
  5  6  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 11  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 12  1  0  0  0  0
 11 41  1  0  0  0  0
 11 42  1  0  0  0  0
 12 13  1  0  0  0  0
 12 43  1  0  0  0  0
 12 44  1  0  0  0  0
 13 14  1  0  0  0  0
 13 45  1  0  0  0  0
 13 46  1  0  0  0  0
 14 15  1  0  0  0  0
 14 47  1  0  0  0  0
 14 48  1  0  0  0  0
 15 16  1  0  0  0  0
 15 49  1  0  0  0  0
 15 50  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 51  1  0  0  0  0
 19 52  1  0  0  0  0
 20 21  1  0  0  0  0
 20 53  1  0  0  0  0
 20 54  1  0  0  0  0
 21 55  1  0  0  0  0
M  END
$$$$

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2023-11-23, 3626👍, 0💬