Molecule FYI-1006779

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A

Molecule Summary:

ID: FYI-1006779
Names:
InChIKey: LOPAFWMOCZGHFX-UHFFFAOYSA-N
SMILES: c3cc(c2ccc1OCOc1c2)n[nH]3

Received at FYIcenter.com on: 2024-01-15

Molecule ID: FYI-1006779 Edit

Molecule Structure InChIKey: LOPAFWMOCZGHFX-UHFFFAOYSA-N

Molecule Structure SMILES String: c3cc(c2ccc1OCOc1c2)n[nH]3

Download SDF Download SVG Structure in 2D SDF:

FYI-1006779
FYIcenter.com

 14 16  0  0  0  0  0  0  0  0999 V2000
    7.3074    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9379    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7916    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1543    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1543    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8228    2.5326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8228    0.2674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0706    2.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0074    3.2709    0.0000 N   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
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12  7  1  0  0  0  0
 13  3  2  0  0  0  0
 14 13  1  0  0  0  0
 14  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006779-3D
FYIcenter.com

 22 24  0     0  0  0  0  0  0999 V2000
    2.6622   -1.6059   -0.1855 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5969    0.5989    0.0839 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5480   -1.0415    0.4057 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8865   -1.0014    0.2915 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4931    0.2575    0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7024   -0.6464   -0.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2362    0.6125    0.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3393   -0.8575   -0.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9260    0.0889   -0.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0524    1.5439    0.1587 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4365    1.7300    0.1945 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8600   -0.8095   -0.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9228    0.9270   -0.4636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1095    0.2035   -0.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0465   -1.8630   -0.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5877    2.4172    0.2624 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8612    2.7197    0.3174 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4577   -0.9521   -0.9870 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4393   -1.1605    0.7823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8204    1.9174   -0.8837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1328   -1.8755    0.8025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1274    0.5036   -0.4436 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 12  1  0  0  0  0
  2  7  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 21  1  0  0  0  0
  4 14  2  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8 15  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 14 22  1  0  0  0  0
M  END
$$$$

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2024-01-24, 1671👍, 0💬