Molecule FYI-1004198

A

Molecule Summary:

ID: FYI-1004198
Names:
InChIKey: JSRSLTCFTYHIRT-UHFFFAOYSA-N
SMILES: c5ccc(COC3C1COC(O1)C(OCc2ccccc2)C3OCc4ccccc4)cc5

Received at FYIcenter.com on: 2023-08-22

Molecule ID: FYI-1004198 Edit

Molecule Structure InChIKey: JSRSLTCFTYHIRT-UHFFFAOYSA-N

Molecule Structure SMILES String: c5ccc(COC3C1COC(O1)C(OCc2ccccc2)C3OCc4ccccc4)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1004198
FYIcenter.com

 32 36  0  0  0  0  0  0  0  0999 V2000
    6.3780   10.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9813    8.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9422    6.8598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    6.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3184    6.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2012    8.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7499   10.0732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1080    7.9476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5345    6.2736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5918    4.9025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8079    4.2668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8653    2.8956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0814    2.2598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2400    2.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1826    4.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9667    5.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1734    4.8267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9995    4.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0282    2.7440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8544    2.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8831    0.6612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0856    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2594    0.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2307    2.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7538    6.1737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5653    6.8598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3769    6.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1885    6.8598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1885    4.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3769    4.8014    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  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17  4  1  0  0  0  0
 18 17  1  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
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25  3  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 32 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004198-3D
FYIcenter.com

 60 64  0     1  0  0  0  0  0999 V2000
   -1.9557   -0.6094    2.6533 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4568   -1.1117    4.3464 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0924   -1.6399    0.1896 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5512   -1.1269    0.6436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0828    1.0019    1.3919 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5407   -2.1102    1.4207 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6233   -1.9982    2.5122 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7036   -1.2795    1.7728 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3309    0.0779    2.3933 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8250   -0.1107    3.3856 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1373   -2.3062    3.9167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8960   -2.6332   -0.4267 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8756   -0.7808    1.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0104    2.3421    1.8522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4486   -2.0887   -1.7111 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7196   -0.6341   -0.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4366    3.2676    0.7590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6727   -1.4199   -1.7157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7379   -2.2508   -2.9005 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4006   -1.7376   -0.7193 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8228    0.6055   -0.8366 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4898    3.7597   -0.1604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7786    3.6355    0.6619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1864   -0.9134   -2.9096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2516   -1.7442   -4.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1851   -1.6016   -1.8646 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6072    0.7413   -1.9820 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0744    4.6200   -1.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1940    4.4957   -0.3547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4759   -1.0756   -4.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2883   -0.3622   -2.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2674    4.9879   -1.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2221   -3.1538    1.2978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5253   -2.5633    2.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2447   -1.8593    2.5349 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2095    0.4645    2.9245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1121    0.8056    3.9058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4714   -3.1711    3.9783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9804   -2.4550    4.5999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7265   -2.9416    0.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2955   -3.5278   -0.6358 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2982   -1.5581    1.6759 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8937    0.1618    1.5849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6101    2.5086    2.7388 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0469    2.5729    2.1296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2341   -1.2848   -0.7950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7818   -2.7675   -2.9094 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3261   -2.7089   -0.2377 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2951    1.4719   -0.4469 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5377    3.4789   -0.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5103    3.2564    1.3705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1390   -0.3920   -2.9130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6981   -1.8696   -5.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7149   -2.4608   -2.2653 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6870    1.7062   -2.4742 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7957    5.0025   -1.8930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2389    4.7815   -0.4312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8755   -0.6807   -5.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8986   -0.2564   -3.3881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5910    5.6572   -2.0658 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  4  8  1  0  0  0  0
  4 13  1  0  0  0  0
  5  9  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 33  1  0  0  0  0
  7 11  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 15  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 16  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 17  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
 18 46  1  0  0  0  0
 19 25  2  0  0  0  0
 19 47  1  0  0  0  0
 20 26  1  0  0  0  0
 20 48  1  0  0  0  0
 21 27  2  0  0  0  0
 21 49  1  0  0  0  0
 22 28  1  0  0  0  0
 22 50  1  0  0  0  0
 23 29  2  0  0  0  0
 23 51  1  0  0  0  0
 24 30  2  0  0  0  0
 24 52  1  0  0  0  0
 25 30  1  0  0  0  0
 25 53  1  0  0  0  0
 26 31  2  0  0  0  0
 26 54  1  0  0  0  0
 27 31  1  0  0  0  0
 27 55  1  0  0  0  0
 28 32  2  0  0  0  0
 28 56  1  0  0  0  0
 29 32  1  0  0  0  0
 29 57  1  0  0  0  0
 30 58  1  0  0  0  0
 31 59  1  0  0  0  0
 32 60  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-16, 2311👍, 0💬