Molecule FYI-1015492

A

Molecule Summary:

ID: FYI-1015492
Names:
InChIKey: MLKXDPUZXIRXEP-RQZCQDPDSA-N
SMILES: Cc2c(CC(=O)O)c1cc(F)ccc1c2=Cc3ccc(S(C)=O)cc3

Received at FYIcenter.com on: 2025-09-05

Molecule ID: FYI-1015492 Edit

Molecule Structure InChIKey: MLKXDPUZXIRXEP-RQZCQDPDSA-N

Molecule Structure SMILES String: Cc2c(CC(=O)O)c1cc(F)ccc1c2=Cc3ccc(S(C)=O)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015492
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    8.7386    0.1102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5261    0.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5261    2.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7386    2.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9510    2.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9510    0.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4476    4.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0553    4.4260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4858    3.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3683    5.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7672    5.3904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3323    6.6713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5550    4.2331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3553    5.6385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1164    2.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1796    3.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6123    5.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6756    6.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    5.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8735    4.6459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8102    3.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694    7.0178    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021    8.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0927    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  3  9  1  0  0  0  0
  4  7  1  0  0  0  0
  7 10  1  0  0  0  0
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  8 14  1  0  0  0  0
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 15 16  1  0  0  0  0
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 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
  6 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015492-3D
FYIcenter.com

 42 44  0     1  0  0  0  0  0999 V2000
   -6.2580    0.2340    0.2436 S   0  0  1  0  0  0  0  0  0  0  0  0
    6.0303   -1.6631   -0.1798 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1824    4.3208   -0.0789 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5068    2.7831    1.4554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9088   -0.4107   -0.9485 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8435    0.9554   -0.5475 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7210   -0.2056   -0.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5682    0.5576   -0.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5565   -0.8587    0.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9444   -1.3238    0.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3876    2.2834   -0.9339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5116   -1.6163    0.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1026   -0.3050   -0.3884 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5249   -2.5513    0.3114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6802    1.3636   -0.4661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9128   -1.1649    0.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6977   -1.5392   -0.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9155   -2.6523    0.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6825    3.1129    0.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4796   -0.6752    1.4485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6398   -1.2379   -0.8956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5512   -0.3148    0.2584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8073   -0.2475    1.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9674   -0.8101   -0.9078 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2983    2.1842   -1.5331 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9307   -3.4177    0.5802 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9106   -0.6179    2.3725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1961   -1.6215   -1.8106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2481    0.1362    2.3529 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3831    4.8867    0.6968 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3996    2.0231   -1.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1 22  1  0  0  0  0
  1 25  1  0  0  0  0
  2 17  1  0  0  0  0
  3 19  1  0  0  0  0
  3 39  1  0  0  0  0
  4 19  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7 10  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 19  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 16  1  0  0  0  0
 12 28  1  0  0  0  0
 13 17  2  0  0  0  0
 13 29  1  0  0  0  0
 14 18  2  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 34  1  0  0  0  0
 20 23  1  0  0  0  0
 20 35  1  0  0  0  0
 21 24  2  0  0  0  0
 21 36  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  END
$$$$

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2025-09-24, 871👍, 0💬