Molecule FYI-1001576

A

Molecule Summary:

ID: FYI-1001576
SMILES: O=S(N[C@@H](CC(N4CCN3C(C4)=NN=C3C(F)(F)F)=O)CC1=CC(F)=C(F)C=C1F)(C2=CC=C([N+]([O-])=O)C=C2)=O

Received at FYIcenter.com on: 2022-09-14

Molecule ID: FYI-1001576 Edit

Molecule Structure SMILES String: O=S(N[C@@H](CC(N4CCN3C(C4)=NN=C3C(F)(F)F)=O)CC1=CC(F)=C(F)C=C1F)(C2=CC=C([N+]([O-])=O)C=C2)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001576
FYIcenter.com

 44 47  0  0  1  0  0  0  0  0999 V2000
   10.3702    8.6956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3702    7.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5826    6.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7951    7.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0075    6.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2199    7.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9199    6.0832    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.4324    7.9956    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.5199    8.5080    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.0075    5.1956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7951    4.4956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3951    3.0956    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.7951    1.6956    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9453   11.4956    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
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  5  4  1  0  0  0  0
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 43 42  2  0  0  0  0
 43 36  1  0  0  0  0
 44 43  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001576-3D
FYIcenter.com

 58 61  0  0  1  0  0  0  0  0999 V2000
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    2.8339   -0.2029    1.8006 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5289    1.1805    2.1929 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2022-10-07, 1687👍, 0💬