Molecule FYI-1002195

A

Molecule Summary:

ID: FYI-1002195
Names:
InChIKey: ZNSQICMTTCTJBW-JSKKQJDMSA-N
SMILES: Cc6ccc(C3C(N(=O)=O)C(c1ccccc1)C2CCCCC2(O)C35C(=O)c4ccccc4C5=O)cc6

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

Molecule ID: FYI-1002195 Edit

Molecule Structure InChIKey: ZNSQICMTTCTJBW-JSKKQJDMSA-N

Molecule Structure SMILES String: Cc6ccc(C3C(N(=O)=O)C(c1ccccc1)C2CCCCC2(O)C35C(=O)c4ccccc4C5=O)cc6

Download SDF Download SVG Structure in 2D SDF:

FYI-1002195
FYIcenter.com

 41 46  0  0  0  0  0  0  0  0999 V2000
    6.7406    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    9.1000    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
    4.3157    7.0000    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
    5.5282    4.9000    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
    4.3157    2.8000    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
    6.7406    2.8000    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
    3.1033    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1033    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    0.7000    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
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    0.7000    4.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4596    3.6073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5283   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7408   11.1999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3159   11.2001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5284   11.9000    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
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 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
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 15 16  1  0  0  0  0
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  9 13  1  0  0  0  0
 11 17  1  0  0  0  0
 18 19  1  0  0  0  0
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 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
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 23 30  2  0  0  0  0
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 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
  3 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-1002195-3D
FYIcenter.com

 66 71  0  0  1  0  0  0  0  0999 V2000
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   -6.1891    4.0882    1.7397 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2 37  2  0  0  0  0
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 25 26  1  0  0  0  0
 25 34  1  0  0  0  0
 26 27  2  0  0  0  0
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 28 29  1  0  0  0  0
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 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, 1891👍, 0💬