Molecule FYI-1002199

A

Molecule Summary:

ID: FYI-1002199
Names:
InChIKey: ZKXSVBLYGNHKPJ-JSKKQJDMSA-N
SMILES: COc6ccc(C5C1CCCCC1(O)C3(C(=O)c2ccccc2C3=O)C(c4ccccc4)C5N(=O)=O)cc6

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

Molecule ID: FYI-1002199 Edit

Molecule Structure InChIKey: ZKXSVBLYGNHKPJ-JSKKQJDMSA-N

Molecule Structure SMILES String: COc6ccc(C5C1CCCCC1(O)C3(C(=O)c2ccccc2C3=O)C(c4ccccc4)C5N(=O)=O)cc6

Download SDF Download SVG Structure in 2D SDF:

FYI-1002199
FYIcenter.com

 39 44  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
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   11.5903    0.0000    0.0000 C   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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  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
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  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002199-3D
FYIcenter.com

 67 72  0  0  1  0  0  0  0  0999 V2000
    3.0857    3.7525    1.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
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 38 67  1  0  0  0  0
M  END
$$$$

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2023-02-28, 644👍, 0💬