Molecule FYI-1003015

A

Molecule Summary:

ID: FYI-1003015
Names:
InChIKey: XXKZCBDYWORMOW-UHFFFAOYSA-N
SMILES: CCCC(CCC)CCNc1c(F)c(S(N)(=O)=O)c(F)c(F)c1S(=O)(=O)Cc2ccc(C(=O)O)cc2

Received at FYIcenter.com on: 2023-05-06

Molecule ID: FYI-1003015 Edit

Molecule Structure InChIKey: XXKZCBDYWORMOW-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCC(CCC)CCNc1c(F)c(S(N)(=O)=O)c(F)c(F)c1S(=O)(=O)Cc2ccc(C(=O)O)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1003015
FYIcenter.com

 36 37  0  0  0  0  0  0  0  0999 V2000
    1.2125   14.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871   10.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6623    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3623    7.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  9  6  1  0  0  0  0
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 33 12  1  0  0  0  0
 34 33  1  0  0  0  0
 35 11  2  0  0  0  0
 36 11  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003015-3D
FYIcenter.com

 65 66  0  0  0  0  0  0  0  0999 V2000
    0.7220    0.5415    2.8184 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2262    0.6705    3.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9471   -0.6624    2.7946 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4858   -0.5987    2.9547 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483   -0.0428    4.3265 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5953   -0.9259    5.5271 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1258   -0.3443    6.8301 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1293   -3.3894    2.4147 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5355   -3.5820    2.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4299   -2.5183    2.8323 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9617   -1.2690    2.9777 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.7888   -2.7265    3.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8473   -1.4285    3.5021 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.4787   -2.0115    4.9444 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0927   -0.2627    3.8931 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3123   -3.9903    2.8641 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6139   -4.2222    3.0570 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4755   -5.0542    2.5371 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0536   -6.2628    2.4365 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1036   -4.8700    2.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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M  END
$$$$

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2023-05-31, 2884👍, 0💬