Molecule FYI-1003267

A

Molecule Summary:

ID: FYI-1003267
Names:
InChIKey: CBFMQXOVLCMHCC-UHFFFAOYSA-N
SMILES: CC(=O)Oc1ccccc1c3cnc(c2cccc(OC(C)=O)c2OC(C)=O)o3

Received at FYIcenter.com on: 2023-05-31

Molecule ID: FYI-1003267 Edit

Molecule Structure InChIKey: CBFMQXOVLCMHCC-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)Oc1ccccc1c3cnc(c2cccc(OC(C)=O)c2OC(C)=O)o3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003267
FYIcenter.com

 29 31  0  0  0  0  0  0  0  0999 V2000
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 20 27  2  0  0  0  0
 25 28  1  0  0  0  0
 21 29  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003267-3D
FYIcenter.com

 46 48  0     0  0  0  0  0  0999 V2000
    1.1933   -0.2259    0.6996 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5021    1.2749   -0.2016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6452   -0.4471   -0.4150 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0267   -1.3616   -0.7381 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8138    0.6524   -2.3506 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0160    1.6762    1.0334 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2672   -0.9258   -0.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7627    0.8914    1.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 35  1  0  0  0  0
 22 23  2  0  0  0  0
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 29 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 379👍, 0💬