Molecule FYI-1011859

A

Molecule Summary:

ID: FYI-1011859
Names:
InChIKey: WOGBNISMMIOPAZ-UHFFFAOYSA-N
SMILES: OC3COC(OCC2OC(OCc1ccccc1)C(O)C(O)C2O)C(O)C3O

Received at FYIcenter.com on: 2024-08-12

Molecule ID: FYI-1011859 Edit

Molecule Structure InChIKey: WOGBNISMMIOPAZ-UHFFFAOYSA-N

Molecule Structure SMILES String: OC3COC(OCC2OC(OCc1ccccc1)C(O)C(O)C2O)C(O)C3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1011859
FYIcenter.com

 28 30  0  0  0  0  0  0  0  0999 V2000
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   11.2000    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
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14  9  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
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 12  1  0  0  0  0
 24 11  1  0  0  0  0
 25 10  1  0  0  0  0
 26  4  1  0  0  0  0
 27  3  1  0  0  0  0
 28  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011859-3D
FYIcenter.com

 54 56  0  0  1  0  0  0  0  0999 V2000
    1.0326   -0.6568    0.2273 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4674   -0.6655    0.1127 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9434    0.5486   -0.6889 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4722    0.5146   -2.0405 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8932   -0.6529   -2.7433 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3247   -0.7151   -2.8367 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8614    0.3514   -3.6074 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3941    0.2244   -3.7269 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9339    1.3236   -4.4850 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6149    1.2940   -5.8858 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2425    2.4248   -6.5037 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8120    2.6058   -7.8560 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4207    3.8238   -8.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7471    3.7827   -9.8647 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2587    4.9072  -10.5116 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4395    6.0908   -9.8007 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1112    6.1478   -8.4466 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5998    5.0215   -7.7971 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1301   -0.0241   -6.5079 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5700   -0.0860   -6.4366 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5617   -1.2327   -5.7702 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1120   -2.4230   -6.3442 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8968   -1.1306   -4.2762 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3879   -2.2488   -3.5489 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3927   -1.9410   -2.0644 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8501   -3.0927   -2.7937 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8738   -1.9605   -0.6007 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3149   -3.0852    0.0888 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7663    0.2306    0.5298 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8651   -0.6453    1.1302 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0377    0.6201   -0.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5510    1.4704   -0.2478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4849   -0.6152   -3.7603 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6278    1.3142   -3.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3838    0.3507   -4.5912 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7921    0.3145   -2.7080 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5326    1.3993   -6.0039 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7205    2.6944   -7.8942 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1208    1.7361   -8.4424 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6039    2.8682  -10.4371 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5112    4.8585  -11.5668 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8394    6.9688  -10.3007 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2516    7.0733   -7.8942 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3450    5.0814   -6.7410 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8762   -0.1023   -7.5683 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8655    0.7445   -6.0061 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4768   -1.2975   -5.9112 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0743   -2.2602   -6.4182 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9864   -1.1758   -4.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4208   -2.2682   -3.6702 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2968   -1.9694   -2.0888 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6827   -3.3875   -2.3824 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9616   -2.0861   -0.5660 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3700   -2.8674    0.2195 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 15 41  1  0  0  0  0
 16 17  2  0  0  0  0
 16 42  1  0  0  0  0
 17 18  1  0  0  0  0
 17 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 24  1  0  0  0  0
 23 49  1  0  0  0  0
 24 50  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 51  1  0  0  0  0
 26 52  1  0  0  0  0
 27 28  1  0  0  0  0
 27 53  1  0  0  0  0
 28 54  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-08-14, 978👍, 0💬