Molecule FYI-1002198

A

Molecule Summary:

ID: FYI-1002198
Names:
InChIKey: NNZMAUMXMGGQOF-JSKKQJDMSA-N
SMILES: COc6cccc(C3C(N(=O)=O)C(c1ccccc1)C2CCCCC2(O)C35C(=O)c4ccccc4C5=O)c6

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

Molecule ID: FYI-1002198 Edit

Molecule Structure InChIKey: NNZMAUMXMGGQOF-JSKKQJDMSA-N

Molecule Structure SMILES String: COc6cccc(C3C(N(=O)=O)C(c1ccccc1)C2CCCCC2(O)C35C(=O)c4ccccc4C5=O)c6

Download SDF Download SVG Structure in 2D SDF:

FYI-1002198
FYIcenter.com

 42 47  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
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    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
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  1  2  1  0  0  0  0
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  4  5  2  0  0  0  0
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  6  1  2  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
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  2 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 39 42  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002198-3D
FYIcenter.com

 67 72  0  0  1  0  0  0  0  0999 V2000
    1.1543    0.1877   -0.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6167   -2.1434    0.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5706   -3.2236    0.9230 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, 949👍, 0💬