Molecule FYI-1003818

A

Molecule Summary:

ID: FYI-1003818
Names:
InChIKey: OZFGGXXPKSAVLI-FYWRMAATSA-N
SMILES: O=C(/C=C/c2ccc(c1ccc(Cl)cc1)o2)c4cccc(Oc3ccccc3)c4

Received at FYIcenter.com on: 2023-07-27

Molecule ID: FYI-1003818 Edit

Molecule Structure InChIKey: OZFGGXXPKSAVLI-FYWRMAATSA-N

Molecule Structure SMILES String: O=C(/C=C/c2ccc(c1ccc(Cl)cc1)o2)c4cccc(Oc3ccccc3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1003818
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    2.4249   16.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   17.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   18.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   17.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   16.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   15.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5974   15.2978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5212   13.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2724   13.2669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1962   11.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3688   11.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6175   11.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6937   13.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7900   10.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7138    9.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0388   11.6050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7552    8.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4656    7.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1872    6.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3350    5.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7047    5.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4034    6.2293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2755    3.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4538    2.6043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0245    1.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4170    1.1810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2387    2.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6680    3.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1688    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 18 22  1  0  0  0  0
 18 19  2  0  0  0  0
 21 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003818-3D
FYIcenter.com

 46 49  0  0  0  0  0  0  0  0999 V2000
    1.1474    0.0822    0.1262 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3661    0.0162    0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1251    0.7986   -0.9870 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5593    1.8420   -1.6096 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2963    2.5641   -2.5863 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9144    3.6810   -3.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9803    4.0177   -4.1843 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9769    3.0931   -3.9608 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2938    2.8462   -4.5453 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7881    3.6846   -5.5572 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0230    3.4313   -6.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7809    2.3361   -5.7607 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2869    2.0105   -6.5248 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.3204    1.5005   -4.7475 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0841    1.7568   -4.1427 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5723    2.2293   -2.9870 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1605   -0.9013    0.8796 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5822   -2.1087    1.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2963   -2.9776    2.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5843   -2.6416    2.5370 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1804   -1.4576    2.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4394   -1.0333    2.4526 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4623   -1.9369    2.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5787   -3.1559    1.9530 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6514   -4.0069    2.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6384   -3.6177    3.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5612   -2.3724    3.7545 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4753   -1.5339    3.4996 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4527   -0.5705    1.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1399    0.4899   -1.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5405    2.1450   -1.3825 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9615    4.1858   -3.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    4.8263   -4.9000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2134    4.5431   -5.8959 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3793    4.0881   -6.9529 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9097    0.6451   -4.4281 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7385    1.0856   -3.3589 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5765   -2.3722    0.9638 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8469   -3.9144    2.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1102   -3.3145    3.2095 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8419   -3.4661    1.2182 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7180   -4.9724    1.7337 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4737   -4.2802    3.3449 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3435   -2.0550    4.4389 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4175   -0.5631    3.9855 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9059    0.3807    1.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  2  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
  5  6  2  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  2  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  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  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  2  0  0  0  0
 18 19  2  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  2  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 21 29  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  2  0  0  0  0
 24 25  2  0  0  0  0
 24 41  1  0  0  0  0
 25 26  1  0  0  0  0
 25 42  1  0  0  0  0
 26 27  2  0  0  0  0
 26 43  1  0  0  0  0
 27 28  1  0  0  0  0
 27 44  1  0  0  0  0
 28 45  1  0  0  0  0
 29 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 2244👍, 0💬