Molecule FYI-1012654

A

Molecule Summary:

ID: FYI-1012654
Names:
InChIKey: UAWXGRJVZSAUSZ-UHFFFAOYSA-N
SMILES: CC4(C)Cc3c(c1ccccc1)c(c2ccc(Cl)cc2)c(CC(=O)O)n3C4

Received at FYIcenter.com on: 2024-10-06

Molecule ID: FYI-1012654 Edit

Molecule Structure InChIKey: UAWXGRJVZSAUSZ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC4(C)Cc3c(c1ccccc1)c(c2ccc(Cl)cc2)c(CC(=O)O)n3C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1012654
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
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    6.2310    3.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1005    5.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 26 21  1  0  0  0  0
 26  5  1  0  0  0  0
 27 26  1  0  0  0  0
 27  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012654-3D
FYIcenter.com

 49 52  0     0  0  0  0  0  0999 V2000
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   -0.1296   -4.8832    0.4831 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4201   -2.9825    1.6917 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8393   -0.8737   -0.5091 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0835   -0.2824   -0.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6891   -0.4564   -0.2528 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3213   -0.7128    0.9631 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4415   -0.3398   -1.4209 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1032   -5.3325    1.3547 H   0  0  0  0  0  0  0  0  0  0  0  0
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 26 48  1  0  0  0  0
M  END
$$$$

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2024-10-14, 1240👍, 0💬