Molecule FYI-1005133

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A

Molecule Summary:

ID: FYI-1005133
Names:
InChIKey: STGDPYFIKOIHRA-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCc1c(O)c(OC)cc(O)c1OC

Received at FYIcenter.com on: 2023-10-15

Molecule ID: FYI-1005133 Edit

Molecule Structure InChIKey: STGDPYFIKOIHRA-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCc1c(O)c(OC)cc(O)c1OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1005133
FYIcenter.com

 25 25  0  0  0  0  0  0  0  0999 V2000
   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
   18.1865    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
   15.7616    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    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
   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
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   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
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    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
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 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
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 20 17  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  2  0  0  0  0
 23 14  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005133-3D
FYIcenter.com

 61 61  0     0  0  0  0  0  0999 V2000
    3.3402    1.6450    1.7836 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3940   -0.3405   -2.4401 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3063   -2.6019   -1.1360 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2576   -0.6260    3.0669 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9606    0.9154   -1.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5917    1.0165   -0.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0544    0.5680    0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4905    1.3265   -1.3439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4356    0.3830   -0.6283 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8729    1.4607   -0.6623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5146   -0.0370    0.3724 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792    1.7378   -1.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8554   -0.2779   -0.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3612    1.9052   -1.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9254   -0.7338    0.6672 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8601    0.6693   -0.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2934   -0.9654    0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    0.5991    1.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3569   -0.4035   -1.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3539   -1.4438    1.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8186   -1.5468   -0.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2864   -0.5441    1.7073 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7830   -1.6171    0.9672 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2767    2.6427    2.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7577   -3.7314   -0.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.7357    1.3186   -1.1161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3635   -0.3760   -1.4174 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0852    0.5342   -0.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8393    2.2731    0.0735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6281    0.7402    1.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7392    2.6570   -2.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3358    2.7742   -0.3782 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7672   -1.1738   -2.7764 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6160   -1.4864    3.3441 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8763    2.2735    3.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1113   -4.4732   -1.1147 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9404   -4.1993    0.1684 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6115   -3.4796    0.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 24  1  0  0  0  0
  2 19  1  0  0  0  0
  2 54  1  0  0  0  0
  3 21  1  0  0  0  0
  3 25  1  0  0  0  0
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  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  9  1  0  0  0  0
  7 30  1  0  0  0  0
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  8 10  1  0  0  0  0
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 16 18  2  0  0  0  0
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 22 23  2  0  0  0  0
 23 53  1  0  0  0  0
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 24 58  1  0  0  0  0
 25 59  1  0  0  0  0
 25 60  1  0  0  0  0
 25 61  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-27, 2815👍, 0💬