Molecule FYI-1015656

A

Molecule Summary:

ID: FYI-1015656
Names:
InChIKey: XWDWWYWNSNLOIA-UHFFFAOYSA-N
SMILES: CC(C)(C)c2ccc(C(=O)O/N=C(N)/Cc1ccc(Cl)cc1)cc2

Received at FYIcenter.com on: 2025-09-23

Molecule ID: FYI-1015656 Edit

Molecule Structure InChIKey: XWDWWYWNSNLOIA-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)c2ccc(C(=O)O/N=C(N)/Cc1ccc(Cl)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015656
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
    5.0373    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    2.1000    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
    7.4623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    2.1000    0.0000 O   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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 10  4  1  0  0  0  0
 11  2  2  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
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 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
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 22 17  1  0  0  0  0
 23 22  2  0  0  0  0
 23 14  1  0  0  0  0
 24 13  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015656-3D
FYIcenter.com

 45 46  0     0  0  0  0  0  0999 V2000
    7.0558   -2.7353   -0.9908 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0479    0.9230    0.2658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3710    1.4019   -1.9530 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375    1.3805   -0.0384 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7415    0.8664    2.2692 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0591   -0.8603    0.2748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6351   -0.3640   -0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1249   -1.9391    1.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9345    0.3232    0.7408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6745   -1.4759   -1.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4711    0.5966   -0.9921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5932   -0.9028    0.6865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1797    1.0480   -1.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3018   -0.4514    0.4143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0951    0.5240   -0.5612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7482    0.9930   -0.8461 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5362    1.7659    0.8473 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4185    0.6353    0.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0946    1.3144    1.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0464   -0.1679    1.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5909    0.4150   -0.9729 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8644   -1.2140    0.8998 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4087   -0.6310   -1.4001 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0456   -1.4456   -0.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2993    1.0188   -1.5508 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0362    1.8104   -2.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4039    0.8398    3.0371 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2  4  1  0  0  0  0
  2 16  1  0  0  0  0
  3 16  2  0  0  0  0
  4 19  2  3  0  0  0
  5 19  1  0  0  0  0
  5 44  1  0  0  0  0
  5 45  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
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 11 13  1  0  0  0  0
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 13 15  2  0  0  0  0
 13 36  1  0  0  0  0
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 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
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 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
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 21 23  2  0  0  0  0
 21 41  1  0  0  0  0
 22 24  2  0  0  0  0
 22 42  1  0  0  0  0
 23 24  1  0  0  0  0
 23 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-09-24, 1258👍, 0💬