Molecule FYI-1015401

A

Molecule Summary:

ID: FYI-1015401
Names:
InChIKey: YMXXBXCQTNRYAD-UHFFFAOYSA-N
SMILES: CN(c2ccc1c(=O)ccc(=O)c1c2)c3c(F)cc(OS(=O)(=O)F)cc3C(F)(F)F

Received at FYIcenter.com on: 2025-08-30

Molecule ID: FYI-1015401 Edit

Molecule Structure InChIKey: YMXXBXCQTNRYAD-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(c2ccc1c(=O)ccc(=O)c1c2)c3c(F)cc(OS(=O)(=O)F)cc3C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1015401
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
    7.4622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    9.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    9.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    9.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373   11.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622   11.8999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    6.9999    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9497    4.0124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    1.5876    0.0000 F   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  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
 13  6  1  0  0  0  0
 14 13  2  0  0  0  0
 15  2  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  2  0  0  0  0
 24 21  1  0  0  0  0
 25 19  1  0  0  0  0
 26 25  2  0  0  0  0
 26 15  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  1  0  0  0  0
 30 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015401-3D
FYIcenter.com

 40 42  0  0  0  0  0  0  0  0999 V2000
    0.8961    0.0325   -0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3732    0.0873    0.0215 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9139    1.1803    0.7436 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3270    2.4620    0.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8949    3.5596    1.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0941    3.4065    2.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7066    4.5760    2.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1304    5.6539    2.7654 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0541    4.4095    3.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6741    3.2271    3.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0359    2.0158    2.7094 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6152    0.9369    2.7592 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7118    2.1581    2.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1051    1.0472    1.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0713   -0.9968   -0.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372   -2.3165   -0.5584 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3896   -2.5890    0.0808 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1644   -3.4231   -1.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3755   -3.2729   -1.7817 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9319   -4.4101   -2.3001 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9098   -4.3610   -3.6060 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1872   -3.7840   -4.7202 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2163   -3.8789   -3.2112 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1383   -5.8831   -4.0044 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9523   -2.0114   -1.8202 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154   -0.8603   -1.2622 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1038    0.4152   -1.4987 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4694    1.5985   -1.3128 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2292    0.4575   -0.7288 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5613    0.4818   -2.7880 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4020    0.8857    0.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4911   -0.8171    0.5317 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5480   -0.0009   -1.0601 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4422    2.6483    0.0878 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4082    4.5327    1.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5123    5.2976    3.6843 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6711    3.1011    3.6692 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5949    0.0777    1.5478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6867   -4.3956   -1.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9280   -1.8696   -2.2878 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  2  0  0  0  0
  4  5  2  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 26  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 25  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 40  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-11-06, 488👍, 0💬