Molecule FYI-1004733

A

Molecule Summary:

ID: FYI-1004733
Names:
InChIKey: COJKIMIOICCUSG-UHFFFAOYSA-N
SMILES: Cc3c(O)cc(C(=O)O)c4C(=O)c2c[nH]c(COc1ccc(N(=O)=O)cc1)c2Cc34

Received at FYIcenter.com on: 2023-09-22

Molecule ID: FYI-1004733 Edit

Molecule Structure InChIKey: COJKIMIOICCUSG-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3c(O)cc(C(=O)O)c4C(=O)c2c[nH]c(COc1ccc(N(=O)=O)cc1)c2Cc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1004733
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
   13.8028    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0640    0.5821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5681    2.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5048    3.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8743    3.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3069    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8111    4.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1804    4.4527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 12  6  1  0  0  0  0
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 15 14  2  0  0  0  0
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 21 20  1  0  0  0  0
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 25 24  2  0  0  0  0
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 27 22  1  0  0  0  0
 28 25  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004733-3D
FYIcenter.com

 46 49  0  0  0  0  0  0  0  0999 V2000
    0.9836    0.0398   -0.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4967    0.0325   -0.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2402    1.2138   -0.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7044    2.4684   -0.0445 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-10-05, 1929👍, 0💬