Molecule FYI-1001128

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A

Molecule Summary:

ID: FYI-1001128
SMILES: C1(C(=O)C2=C(C=C(C=C2O)O)OC=1C1=CC=C(C(CCCCCCC)=C1)O)O

Received at FYIcenter.com on: 2022-01-23

Molecule ID: FYI-1001128 Edit

Molecule Structure SMILES String: C1(C(=O)C2=C(C=C(C=C2O)O)OC=1C1=CC=C(C(CCCCCCC)=C1)O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001128
FYIcenter.com

 28 30  0  0  0  0  0  0  0  0999 V2000
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    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
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 O   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
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    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
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   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
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    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  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  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
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12  5  1  0  0  0  0
 13 12  1  0  0  0  0
 13  1  2  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  2  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  1  0  0  0  0
 22 21  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 18  2  0  0  0  0
 26 14  1  0  0  0  0
 27 17  1  0  0  0  0
 28  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001128-3D
FYIcenter.com

 52 54  0  0  0  0  0  0  0  0999 V2000
    0.6617    1.8042   -0.5373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1871    0.5908   -0.4545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3082    0.6451   -0.9472 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3961   -0.5848    0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7133   -0.4844    0.6868 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3294   -1.5580    1.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6127   -2.7306    1.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2983   -2.8486    1.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3087   -1.7750    0.4377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6005   -1.9063    0.0160 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1632   -3.8024    2.1721 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4779    0.6469    0.5473 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9058    1.7586   -0.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8054    2.9143   -0.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8154    3.8445    0.9596 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6957    4.9269    0.9233 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5612    5.0813   -0.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5586    4.1748   -1.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4892    4.3191   -2.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7855    4.3907   -3.7682 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8999    5.6278   -3.9412 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2537    5.6186   -5.3280 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3546    6.8330   -5.5469 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7219    6.7977   -6.9379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8259    8.0026   -7.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6769    3.0824   -1.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4331    6.1338   -0.1825 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1102    2.9230   -1.1364 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3549   -1.4581    1.6785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2347   -3.7773    1.2708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9360   -2.7923    0.2300 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0737   -3.5853    2.4348 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1407    3.7291    1.8041 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6899    5.6352    1.7459 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1588    3.4490   -2.4068 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1389    5.1946   -2.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1855    3.4886   -3.9363 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5562    4.3967   -4.5493 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5012    6.5363   -3.8155 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1157    5.6476   -3.1754 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6627    4.7021   -5.4481 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0367    5.5997   -6.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9412    7.7523   -5.4312 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5670    6.8518   -4.7840 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1319    5.8811   -7.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5058    6.7789   -7.7042 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0128    8.0303   -6.4358 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3829    7.9608   -8.1679 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3952    8.9338   -7.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667    2.3524   -1.9736 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3336    6.6390    0.6405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7883    2.6362   -1.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  2  0  0  0  0
  1 28  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  2  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  1  0  0  0  0
 18 26  2  0  0  0  0
 19 20  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 24  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 51  1  0  0  0  0
 28 52  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-13, 2468👍, 0💬