Molecule FYI-1000950

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Molecule Summary:

ID: FYI-1000950
SMILES: CCCCCc3cc(O)c2C1C=C(C)CCC1C(C)(C)Oc2c3

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

Molecule ID: FYI-1000950 Edit

Molecule Structure SMILES String: CCCCCc3cc(O)c2C1C=C(C)CCC1C(C)(C)Oc2c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1000950
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
   13.3368    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.0124    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  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 17 11  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
 22 10  1  0  0  0  0
 23 22  2  0  0  0  0
 23  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000950-3D
FYIcenter.com

 53 55  0  0  1  0  0  0  0  0999 V2000
    4.4978    2.6590    0.5196 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3254    1.4586    1.4346 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1277    0.2495    0.9513 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0134   -0.8999    1.9552 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7810   -2.1501    1.5382 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2767   -2.0065    1.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1922   -1.7432    2.3796 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5959   -1.8961    2.1807 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4276   -1.7295    3.2547 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1295   -2.3208    0.9474 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5039   -3.0853    0.8300 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.9333   -2.5444    0.5295 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8724   -3.2527   -0.1807 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2632   -2.8420   -0.5673 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6077   -4.6495   -0.7108 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2336   -5.1561   -0.4052 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2057   -4.0427   -0.3237 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8453   -3.1471   -1.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4084   -1.7049   -1.8107 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0251   -3.8960   -2.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4378   -2.9045   -1.3801 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1670   -2.4400   -0.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7913   -2.2893    0.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9273    3.5098    0.9058 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1405    2.4400   -0.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5493    2.9570    0.4580 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2618    1.1992    1.4940 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6481    1.7337    2.4453 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1784    0.5342    0.8273 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7592   -0.0704   -0.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9547   -1.1748    2.0515 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3487   -0.5727    2.9437 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3288   -2.5254    0.6076 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6031   -2.9479    2.2722 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8042   -1.5027    3.3674 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9059   -1.3792    3.9963 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6146   -3.6351    1.7744 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1789   -1.5393    0.8770 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6149   -1.9278   -0.0876 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3229   -2.7178   -1.6572 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9760   -3.6441   -0.3164 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3393   -5.3542   -0.2917 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7597   -4.6584   -1.7983 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9307   -5.9214   -1.1273 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2587   -5.6694    0.5679 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3034   -4.6146   -0.0470 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4783   -1.6762   -2.0219 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1959   -0.9989   -0.9969 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909   -1.2533   -2.6699 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0769   -3.8736   -3.2115 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4227   -3.4329   -3.6813 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6967   -4.9350   -2.8187 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1274   -2.5225   -0.7373 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  1  0  0  0  0
  6 23  2  0  0  0  0
  7  8  2  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  2  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  2  0  0  0  0
 12 38  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 17  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 18  1  0  0  0  0
 17 46  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 47  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 50  1  0  0  0  0
 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 53  1  0  0  0  0
M  END
$$$$

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2021-11-01, 1945👍, 1💬