Molecule FYI-1003452

A

Molecule Summary:

ID: FYI-1003452
Names:
InChIKey: UCOAKFIVSAVHLC-UHFFFAOYSA-N
SMILES: Cc3cc(C)cc(C(=O)c1c(C(C)C)c(=O)[nH]c(=O)n1CC2CC2)c3

Received at FYIcenter.com on: 2023-06-19

Molecule ID: FYI-1003452 Edit

Molecule Structure InChIKey: UCOAKFIVSAVHLC-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cc(C)cc(C(=O)c1c(C(C)C)c(=O)[nH]c(=O)n1CC2CC2)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003452
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.2747    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 18  1  0  0  0  0
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 22 11  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 25  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003452-3D
FYIcenter.com

 49 51  0     0  0  0  0  0  0999 V2000
    3.2563    1.4865   -1.9780 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3223    0.7819    2.0819 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2032   -2.7339   -0.2190 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4905    0.9156   -0.5557 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2177   -0.6040   -1.0662 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3535    3.2153    0.3083 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4096    3.6545    1.3682 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8092    4.5970    0.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8590    2.2233   -0.7241 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9103   -0.0490    0.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6876    0.6697   -1.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6906   -1.6194   -0.2938 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8294   -0.8518   -1.6054 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0318   -2.0293    1.8897 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.1115   -0.3683    0.6713 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
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  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
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  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  2  0  0  0  0
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 12 13  1  0  0  0  0
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 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 41  1  0  0  0  0
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 21 23  2  0  0  0  0
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 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
M  END
$$$$

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2023-07-08, 1016👍, 0💬