Molecule FYI-1014153

A

Molecule Summary:

ID: FYI-1014153
Names:
InChIKey: AGHHRSWORINRIV-UHFFFAOYSA-N
SMILES: CC(C)(C)c2cc(Cn1c(=O)[nH]c(=O)[nH]c1=O)cc(C(C)(C)C)c2O

Received at FYIcenter.com on: 2025-03-06

Molecule ID: FYI-1014153 Edit

Molecule Structure InChIKey: AGHHRSWORINRIV-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)c2cc(Cn1c(=O)[nH]c(=O)[nH]c1=O)cc(C(C)(C)C)c2O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014153
FYIcenter.com

 25 26  0  0  0  0  0  0  0  0999 V2000
    8.9944    6.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6941    5.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9059    6.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3937    4.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4823    4.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2707    5.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0589    4.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0589    3.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4823    3.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6941    2.7984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3651    1.6824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8470    5.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.7984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6353    3.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8470    2.7984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 24 17  1  0  0  0  0
 25 24  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014153-3D
FYIcenter.com

 50 51  0     0  0  0  0  0  0999 V2000
    3.6898    0.0026    0.8377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4983    2.3338   -0.7518 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5021   -2.3424   -0.7414 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4954    0.0010    1.8322 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4402   -0.0027   -0.8014 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9923    1.1655    0.5347 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9916   -1.1656    0.5369 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5088   -2.5096    0.2271 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5034    2.5132    0.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8593   -1.2074   -0.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8570    1.2086   -0.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6195   -1.2090   -0.7466 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6173    1.2069   -0.7482 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7382   -2.6476    1.7635 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8878    2.6523   -0.4803 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7818    2.7536    1.7441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3366   -0.0031   -1.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 19  1  0  0  0  0
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 22 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-03-12, 1694👍, 0💬