Molecule FYI-1016169

A

Molecule Summary:

ID: FYI-1016169
Names:
InChIKey: QGSXXMWJBVHYFO-ACCUITESSA-N
SMILES: C/C(=C\\c1ccc(C(=O)O)cc1)c3cc2c(CCCC2(C)C)s3

Received at FYIcenter.com on: 2025-11-28

Molecule ID: FYI-1016169 Edit

Molecule Structure InChIKey: QGSXXMWJBVHYFO-ACCUITESSA-N

Molecule Structure SMILES String: C/C(=C\c1ccc(C(=O)O)cc1)c3cc2c(CCCC2(C)C)s3

Download SDF Download SVG Structure in 2D SDF:

FYI-1016169
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
   10.7029    8.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    7.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1028    7.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1028    4.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    4.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6334    5.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7660    3.6306    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    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
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    7.7958    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  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10  6  1  0  0  0  0
 11  9  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
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 16  1  0  0  0  0
 21 20  2  0  0  0  0
 21 13  1  0  0  0  0
 22 11  1  0  0  0  0
 23  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016169-3D
FYIcenter.com

 45 47  0     0  0  0  0  0  0999 V2000
   -1.9832    1.6544   -0.2174 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1490    0.4692    1.0749 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   -1.0029   -0.6524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0228   -0.9968    0.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1576   -0.0816   -0.4729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6857   -0.2712    0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0577    1.3701    0.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7432    2.0211   -0.4269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5921    1.0936   -0.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3300   -1.3674    1.5523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0038   -2.2907   -0.7514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3850   -0.8473    0.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3762    0.0847    0.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0171   -0.1110    0.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5084   -1.2396    1.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9935    0.6317   -0.4566 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4392    0.4033   -0.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1458    1.0661    0.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0752   -0.4709   -1.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5182    0.8500    0.7960 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4474   -0.6869   -1.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1689   -0.0265   -0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5997   -0.2515    0.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1395   -0.4906   -0.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1176   -0.0710   -1.5712 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6042    2.9639    0.1146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8000    2.2599   -1.4962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3275   -0.4869    2.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3098   -1.8498    1.6422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5819   -2.0626    1.9512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7347   -2.0848   -1.7942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2786   -3.0151   -0.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9862   -2.7767   -0.7481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2121   -1.8994    0.3782 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3850   -2.2055    0.6041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0849   -1.2553    2.0285 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5489   -1.1552    1.4265 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7309    1.4384   -1.1358 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500    1.7517    1.3523 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5243   -0.9913   -1.9718 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0411    1.3847    1.5839 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9357   -1.3737   -1.7529 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1138    0.3108    1.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 13  1  0  0  0  0
  2 23  1  0  0  0  0
  2 45  1  0  0  0  0
  3 23  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  9  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  2  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 41  1  0  0  0  0
 19 21  2  0  0  0  0
 19 42  1  0  0  0  0
 20 22  2  0  0  0  0
 20 43  1  0  0  0  0
 21 22  1  0  0  0  0
 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
$$$$

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2025-12-09, 377👍, 0💬