Molecule FYI-1011030

A

Molecule Summary:

ID: FYI-1011030
Names:
InChIKey: GSYITVYDCCCCDD-UHFFFAOYSA-M
SMILES: CCCSc1ccc2c(c1)[nH]c(NC(=O)OC)[n+]2[Cu]([OH2+])(Br)[n+]4c(NC(=O)OC)[nH]c3cc(SCCC)ccc34

Received at FYIcenter.com on: 2024-07-25

Molecule ID: FYI-1011030 Edit

Molecule Structure InChIKey: GSYITVYDCCCCDD-UHFFFAOYSA-M

Molecule Structure SMILES String: CCCSc1ccc2c(c1)[nH]c(NC(=O)OC)[n+]2[Cu]([OH2+])(Br)[n+]4c(NC(=O)OC)[nH]c3cc(SCCC)ccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1011030
FYIcenter.com

 41 44  0  0  0  0  0  0  0  0999 V2000
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   11.6860    8.6608    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5860    7.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1860    7.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4860    8.6608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1860    9.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5860    9.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0744    9.9641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 38 39  2  0  0  0  0
 23 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011030-3D
FYIcenter.com

 71 74  0  0  0  0  0  0  0  0999 V2000
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    9.8586   -3.0483    2.3703 S   0  0  0  0  0  0  0  0  0  0  0  0
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 37 38  2  0  0  0  0
 37 70  1  0  0  0  0
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 38 71  1  0  0  0  0
M  END
$$$$

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2024-08-06, 1501👍, 0💬