Molecule FYI-1006467

A

Molecule Summary:

ID: FYI-1006467
Names:
InChIKey: IBAFZFQGGTZPEG-UHFFFAOYSA-N
SMILES: OC1=C2C[o+2]5cccc4ncc3CCC(C=C1)C2c3c45

Received at FYIcenter.com on: 2023-12-24

Molecule ID: FYI-1006467 Edit

Molecule Structure InChIKey: IBAFZFQGGTZPEG-UHFFFAOYSA-N

Molecule Structure SMILES String: OC1=C2C[o+2]5cccc4ncc3CCC(C=C1)C2c3c45

Download SDF Download SVG Structure in 2D SDF:

FYI-1006467
FYIcenter.com

 20 24  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 O   0  2  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 10 11  1  0  0  0  0
  3 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  9 14  1  0  0  0  0
 11 16  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 16 17  1  0  0  0  0
 12 19  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006467-3D
FYIcenter.com

 35 39  0  0  1  0  0  0  0  0999 V2000
   11.5512    3.3452   -7.2053 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3369    3.8475   -6.8355 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1815    3.2035   -7.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0893    2.0158   -7.9868 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1625    2.2653   -9.0473 O   0  2  0  0  0  0  0  0  0  0  0  0
    8.4617    1.8583  -10.2076 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5346    1.8084  -11.2403 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2476    2.2414  -10.9942 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9902    2.7848   -9.7623 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7850    3.3345   -9.5594 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5839    4.0496   -8.4341 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5612    4.2187   -7.4748 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4198    5.2165   -6.3575 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6774    6.0846   -6.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9231    5.2477   -6.0740 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2158    5.8929   -6.5827 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3167    5.1808   -6.2529 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8501    3.7539   -6.5815 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7936    3.5589   -7.6461 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0328    2.8096   -8.8143 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2468    3.9130   -6.8181 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7248    1.1623   -7.3985 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0693    1.7163   -8.3805 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4856    1.5432  -10.4352 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8117    1.4619  -12.2366 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4903    2.2317  -11.7673 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6179    4.5477   -8.3679 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3352    4.7057   -5.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5282    5.8377   -6.4925 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5961    6.9403   -5.7465 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7732    6.5044   -7.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9889    5.2219   -4.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0931    6.0864   -7.6581 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6120    5.1499   -5.2009 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5402    3.1312   -5.7272 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  2  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  2  0  0  0  0
  6  7  2  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  2  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  2  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  2  3  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
$$$$

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2023-12-31, 1279👍, 0💬