Molecule FYI-1010485

A

Molecule Summary:

ID: FYI-1010485
Names:
InChIKey: GOUKGVROPVEPNQ-UHFFFAOYSA-N
SMILES: C[n+]3cc(C(=O)NCC[N+]2(Cc1cc(C(N)=O)cs1)CCOCC2)ccc3/C=N/O.CS(=O)(=O)[O-].CS(=O)(=O)[O-]

Received at FYIcenter.com on: 2024-06-07

Molecule ID: FYI-1010485 Edit

Molecule Structure InChIKey: GOUKGVROPVEPNQ-UHFFFAOYSA-N

Molecule Structure SMILES String: C[n+]3cc(C(=O)NCC[N+]2(Cc1cc(C(N)=O)cs1)CCOCC2)ccc3/C=N/O.CS(=O)(=O)[O-].CS(=O)(=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1010485
FYIcenter.com

 40 40  0  0  0  0  0  0  0  0999 V2000
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    6.3000    7.2746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    8.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    8.4870    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.5000    9.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    9.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4999    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
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 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 39 37  1  0  0  0  0
 40 37  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010485-3D
FYIcenter.com

 73 73  0  0  0  0  0  0  0  0999 V2000
    1.0524   -2.0725    2.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1937    2.8237    1.8976 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4366    4.7864    0.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2527    4.7010   -1.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3920    4.4848   -2.5842 N   0  3  0  0  0  0  0  0  0  0  0  0
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    2.4153    8.7094   -3.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2389    9.2826   -4.9802 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0732   10.3095   -4.6577 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2024-06-30, 1403👍, 0💬