Molecule FYI-1001380

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Molecule Summary:

ID: FYI-1001380
SMILES: CCCCC(O)c1cccc(OCc2ccccc2C(=O)OC)c1

Received at FYIcenter.com on: 2022-06-21

Molecule ID: FYI-1001380 Edit

Molecule Structure SMILES String: CCCCC(O)c1cccc(OCc2ccccc2C(=O)OC)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001380
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
    9.6994    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    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
    6.0622    8.4000    0.0000 C   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
    4.8497   10.5000    0.0000 O   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
    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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    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  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  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
 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  2  0  0  0  0
 19 14  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 11  2  0  0  0  0
 24  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001380-3D
FYIcenter.com

 48 49  0  0  1  0  0  0  0  0999 V2000
    0.8645    0.9131   -3.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3796    0.8597   -2.9941 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9204    1.8124   -1.9296 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4450    1.7156   -1.8521 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0311    2.6325   -0.7728 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5347    2.2591    0.5078 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5463    2.6047   -0.8010 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2927    1.4400   -0.5644 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6851    1.4579   -0.6698 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3426    2.6290   -1.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6115    3.7835   -1.3232 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3214    4.8637   -1.7752 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5649    5.7818   -2.5859 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4518    6.5833   -3.5203 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8531    6.4390   -3.4494 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6959    7.1175   -4.3249 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1587    7.9563   -5.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7772    8.1309   -5.3708 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9034    7.4590   -4.4919 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4199    7.6899   -4.6139 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5736    7.2211   -3.8652 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1628    8.5004   -5.6721 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7859    8.8055   -5.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2271    3.7798   -1.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5054    0.2127   -3.8380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5216    1.9165   -3.3485 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4095    0.6390   -2.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8053    1.1146   -3.9716 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6899   -0.1661   -2.7632 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4781    1.5657   -0.9573 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6274    2.8424   -2.1678 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8754    1.9697   -2.8290 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7142    0.6718   -1.6408 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6789    3.6553   -0.9561 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1016    1.5547    0.8573 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7990    0.5046   -0.3124 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2575    0.5529   -0.4815 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4236    2.6310   -1.1608 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0369    6.4689   -1.9146 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8673    5.2178   -3.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3021    5.7822   -2.7049 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7716    6.9815   -4.2542 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8126    8.4784   -5.9841 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3956    8.8021   -6.1366 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7243    9.4379   -6.7827 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3753    9.3629   -5.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2118    7.8926   -6.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6502    4.6864   -1.3092 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 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  2  0  0  0  0
  8  9  2  0  0  0  0
  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
  9 37  1  0  0  0  0
 10 11  2  0  0  0  0
 10 38  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 15 41  1  0  0  0  0
 16 17  1  0  0  0  0
 16 42  1  0  0  0  0
 17 18  2  0  0  0  0
 17 43  1  0  0  0  0
 18 19  1  0  0  0  0
 18 44  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-26, 1017👍, 0💬