Molecule FYI-1002197

A

Molecule Summary:

ID: FYI-1002197
Names:
InChIKey: MCAJXCFWQNZXQF-JSKKQJDMSA-N
SMILES: Cc6ccc(C5C1CCCCC1(O)C3(C(=O)c2ccccc2C3=O)C(c4ccccc4)C5N(=O)=O)cc6

Received at FYIcenter.com on: 2023-02-05

Molecule ID: FYI-1002197 Edit

Molecule Structure InChIKey: MCAJXCFWQNZXQF-JSKKQJDMSA-N

Molecule Structure SMILES String: Cc6ccc(C5C1CCCCC1(O)C3(C(=O)c2ccccc2C3=O)C(c4ccccc4)C5N(=O)=O)cc6

Download SDF Download SVG Structure in 2D SDF:

FYI-1002197
FYIcenter.com

 41 46  0  0  0  0  0  0  0  0999 V2000
    6.7406    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1033    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1033    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694    6.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    7.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    6.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    5.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7482    4.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4596    5.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    2.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5903    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5903    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    0.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 10 16  1  0  0  0  0
  9 13  1  0  0  0  0
 11 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
  8 26  1  0  0  0  0
  8 23  1  0  0  0  0
 12 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  2  0  0  0  0
 23 30  2  0  0  0  0
 26 31  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 25 35  2  0  0  0  0
 24 32  2  0  0  0  0
  9 36  1  0  0  0  0
 10 37  1  1  0  0  0
 20 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 38 41  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002197-3D
FYIcenter.com

 66 71  0  0  1  0  0  0  0  0999 V2000
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   -0.4457   -0.3780    2.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5446   -1.2240    1.7619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6486   -0.8412    0.9302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6732    0.4268    0.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1952    1.1115   -0.4288 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.2198    2.7013   -0.8652 C   0  0  3  0  0  0  0  0  0  0  0  0
   -6.2884    3.4270    0.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6883    4.9064   -0.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4981    5.8223   -0.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8351    5.3737   -1.5505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2595    3.9307   -1.4923 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.0802    4.2695   -0.6835 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8693    3.1051   -2.7432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9375    2.5582   -3.8681 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4200    4.1832   -4.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2413    4.6424   -3.9410 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5422    0.1262    3.8660 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6074   -0.6151    2.6616 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.2209    2.8531    0.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  2  3  1  0  0  0  0
  2 37  2  0  0  0  0
  3  4  2  0  0  0  0
  3 41  1  0  0  0  0
  4  5  1  0  0  0  0
  4 42  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  2  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  6 43  1  0  0  0  0
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 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 25 32  1  0  0  0  0
 25 58  1  0  0  0  0
 26 27  1  0  0  0  0
 26 31  2  0  0  0  0
 27 28  2  0  0  0  0
 27 59  1  0  0  0  0
 28 29  1  0  0  0  0
 28 60  1  0  0  0  0
 29 30  2  0  0  0  0
 29 61  1  0  0  0  0
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 32 33  1  0  0  0  0
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 33 34  2  0  0  0  0
 33 35  2  0  0  0  0
 36 37  1  0  0  0  0
 36 65  1  0  0  0  0
 37 66  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-02-28, 2006👍, 0💬