Molecule FYI-1001318

Home > Molecule

A

Molecule Summary:

ID: FYI-1001318
SMILES: C/C(C(O)=O)=C\\C=C\\C(C)=C\\C=C\\C=C(C)\\C=C\\C=C(C)\\C(O)=O

Received at FYIcenter.com on: 2022-05-15

Molecule ID: FYI-1001318 Edit

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1001318
FYIcenter.com

 48 47  0  0  0  0  0  0  0  0999 V2000
    4.2690   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3933   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2594    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3933   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6490   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1131   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3531   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6832    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4432    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1473    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9073    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7963   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  2  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  4 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 44  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 23 48  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001318-3D
FYIcenter.com

 48 47  0  0  0  0  0  0  0  0999 V2000
    1.2527   -1.4576    0.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7557   -1.3871    0.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2843   -1.4907    1.5485 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4979   -2.0602    1.6780 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6348   -1.1437    2.5231 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4567   -1.1677   -0.9819 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8822   -0.9599   -1.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5986   -0.8512   -2.2279 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0615   -0.7350   -2.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7635   -0.2574   -0.9711 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7709   -1.0995   -3.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2233   -1.1295   -3.3676 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8919   -1.5570   -4.4464 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3395   -1.6124   -4.5282 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0499   -2.0204   -5.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4077   -2.4945   -6.8874 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5229   -2.0116   -5.5528 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3017   -2.3798   -6.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7429   -2.4128   -6.6356 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4589   -2.7878   -7.7207 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8853   -3.2606   -9.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9500   -2.8533   -7.7252 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5746   -2.0844   -6.8116 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5768   -3.5283   -8.5311 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7874   -1.6783    1.0419 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9387   -2.2460   -0.6156 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8491   -0.4999   -0.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8294   -2.4908    0.8704 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9043   -1.1026   -1.9185 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4150   -0.9013   -0.1569 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1072   -0.9047   -3.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0995    0.1442   -0.2037 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4493    0.5626   -1.2064 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3270   -1.0836   -0.5209 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2485   -1.4504   -4.2009 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7814   -0.8143   -2.4909 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3095   -1.8820   -5.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8693   -1.2867   -3.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3176   -2.4911   -6.8820 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7045   -3.5265   -7.1076 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7058   -1.8481   -7.7208 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9857   -1.6895   -4.6215 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7969   -2.6893   -7.4980 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2315   -2.1503   -5.7005 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7959   -3.2624   -9.0863 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1997   -4.2898   -9.2427 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2324   -2.6180   -9.8536 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0069   -1.4427   -6.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  2  3  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  2  3  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  3  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  2  3  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  2  3  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  2  3  0  0  0
 17 42  1  0  0  0  0
 18 19  1  0  0  0  0
 18 43  1  0  0  0  0
 19 20  2  3  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-15, 2635👍, 0💬