Molecule FYI-1004322

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A

Molecule Summary:

ID: FYI-1004322
Names:
InChIKey: MUZGYNXTOUTYNY-CCEZHUSRSA-N
SMILES: O/C(=C(CI)/c1ccccc1)c2ccccc2

Received at FYIcenter.com on: 2023-08-30

Molecule ID: FYI-1004322 Edit

Molecule Structure InChIKey: MUZGYNXTOUTYNY-CCEZHUSRSA-N

Molecule Structure SMILES String: O/C(=C(CI)/c1ccccc1)c2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004322
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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
    2.4249    2.8000    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
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 I   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
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
  7 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004322-3D
FYIcenter.com

 30 31  0  0  0  0  0  0  0  0999 V2000
    1.1480    0.3169    0.2149 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5064    0.1304    0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1041   -0.5518   -0.9214 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5284   -1.2599   -2.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4286   -1.1768   -2.4774 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.5854   -0.6890   -0.8971 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1859   -1.7692   -0.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5770   -1.8726   -0.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3766   -0.9007   -0.7759 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875    0.1649   -1.4568 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3958    0.2691   -1.5213 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2031    0.7732    1.2173 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6860    2.0831    1.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2139    2.7406    2.2169 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2633    2.0926    3.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8066    0.7807    3.5686 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2815    0.1211    2.4549 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7060   -0.0960   -0.5409 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8021   -2.3218   -2.0880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0054   -0.8550   -3.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5745   -2.5265    0.2485 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0370   -2.7014    0.3567 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4589   -0.9692   -0.7076 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4105    0.9214   -1.9264 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9497    1.1115   -2.0433 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6182    2.6083    0.1543 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5623    3.7652    2.1265 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6455    2.6156    4.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8352    0.2792    4.5317 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8976   -0.8895    2.5624 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  2  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  2  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 26  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  1  0  0  0  0
 15 16  2  0  0  0  0
 15 28  1  0  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
M  END
$$$$

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2023-09-07, 2285👍, 0💬