Molecule FYI-1000951

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Molecule Summary:

ID: FYI-1000951
SMILES: CCCCCC1=CC(=C(C(=C1)O)C2C=C(CCC2C(=C)C)C)O

Received at FYIcenter.com on: 2021-07-28

Molecule ID: FYI-1000951 Edit

Molecule Structure SMILES String: CCCCCC1=CC(=C(C(=C1)O)C2C=C(CCC2C(=C)C)C)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000951
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
   13.1271    6.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9338    5.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7404    6.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5471    5.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3536    6.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1603    5.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9669    6.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7735    5.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7735    4.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9669    3.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1603    4.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1264    1.8491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5801    3.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3868    4.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1935    3.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1935    2.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3868    1.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5801    2.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7735    1.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7735    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1296    2.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5801    6.2009    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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  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
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 15  1  0  0  0  0
 23  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000951-3D
FYIcenter.com

 53 54  0  0  1  0  0  0  0  0999 V2000
    0.7480   -0.6188   -4.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2662   -0.6372   -4.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8756   -1.3408   -3.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3989   -1.3644   -3.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9974   -2.0596   -1.9963 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4993   -2.1113   -2.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2414   -0.9325   -2.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6359   -0.9721   -2.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3498   -2.1858   -2.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5771   -3.3580   -2.1604 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1809   -3.3271   -2.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1219   -4.6090   -2.2612 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8768   -2.2321   -1.9746 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.3269   -1.6092   -0.6748 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0156   -0.4576   -0.5904 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4634    0.3107   -1.8063 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9411   -0.1888   -3.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6799   -1.7076   -3.2106 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.1375   -2.2254   -4.5498 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3422   -1.5176   -5.3714 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5303   -3.6239   -4.9495 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3088    0.1740    0.7408 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2960    0.2196   -1.9330 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3247   -0.1144   -5.1328 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4081   -0.0847   -3.3655 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3441   -1.6360   -4.2273 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6352    0.3943   -4.4026 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5717   -1.1445   -5.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4953   -2.3675   -3.0736 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5670   -0.8265   -2.2159 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7699   -0.3347   -3.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7142   -1.8819   -4.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5898   -3.0748   -1.9115 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7061   -1.5318   -1.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7245    0.0209   -1.9491 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6304   -4.2653   -2.1682 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9397   -4.5366   -2.7762 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1749   -3.2854   -1.8729 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0027   -2.1178    0.2307 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5598    0.2987   -1.8266 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1645    1.3616   -1.6978 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6755    0.0798   -3.9341 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0468    0.3809   -3.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6907   -2.1367   -3.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9994   -0.5171   -5.1298 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9769   -1.9368   -6.3045 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2118   -4.0770   -4.2241 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0382   -3.6183   -5.9201 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6462   -4.2663   -5.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9875   -0.4564    1.5775 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7753    1.1270    0.8256 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3806    0.3604    0.8523 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6581    0.9488   -1.9138 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  2  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 13 38  1  0  0  0  0
 14 15  2  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 19  1  0  0  0  0
 18 44  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
 23 53  1  0  0  0  0
M  END
$$$$

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2021-11-01, 3488👍, 1💬