Molecule FYI-1014509

A

Molecule Summary:

ID: FYI-1014509
Names:
InChIKey: ZNOYSGHPKOLDRJ-QZTJIDSGSA-N
SMILES: OC[C@@H](O)COc2ccc(C#Cc1ccc(OC[C@H](O)CCl)cc1)cc2

Received at FYIcenter.com on: 2025-04-23

Molecule ID: FYI-1014509 Edit

Molecule Structure InChIKey: ZNOYSGHPKOLDRJ-QZTJIDSGSA-N

Molecule Structure SMILES String: OC[C@@H](O)COc2ccc(C#Cc1ccc(OC[C@H](O)CCl)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014509
FYIcenter.com

 26 27  0  0  1  0  0  0  0  0999 V2000
   20.6114    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    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
    4.8498    1.4000    0.0000 O   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
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  6  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  3  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  6  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 16  1  0  0  0  0
 24 23  2  0  0  0  0
 24 13  1  0  0  0  0
 25 10  1  0  0  0  0
 26 25  2  0  0  0  0
 26  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014509-3D
FYIcenter.com

 47 48  0     1  0  0  0  0  0999 V2000
   -7.5615   -0.3125   -2.5478 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0367    0.6196   -0.5054 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2476    0.2681    0.9090 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8296    0.4869   -0.7720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0058   -1.8205   -0.2566 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1657   -2.2668   -0.2343 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1574   -0.1263    0.3293 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7599   -0.5437   -0.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3225   -0.6154    0.0893 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.9066   -0.9463    0.5524 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0035   -1.3043    0.8009 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6769    0.5805   -0.3475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3769    0.3383   -1.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8960    0.3076    0.7547 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9710    1.7555   -0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9977   -0.6338   -0.4458 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9067    0.5020   -0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1257    0.3874    0.4361 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5859    1.7163    0.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6126   -0.6730   -0.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7598   -0.8205    0.7264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8767    1.5555    0.3052 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4877    0.4619    0.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.3861   -1.4964   -0.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9549   -1.6026    1.4301 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5382   -1.7943    1.6621 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0031   -0.9612    1.0878 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.4156    0.5210   -1.3948 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5051   -1.5666   -0.6732 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0960   -1.6262   -0.3717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1868   -1.7381    0.8377 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7010    0.7818   -0.4569 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7108   -2.9860    0.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  3 10  1  0  0  0  0
  3 14  1  0  0  0  0
  4  7  1  0  0  0  0
  4 45  1  0  0  0  0
  5  9  1  0  0  0  0
  5 46  1  0  0  0  0
  6 11  1  0  0  0  0
  6 47  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 21  1  0  0  0  0
 15 37  1  0  0  0  0
 16 22  2  0  0  0  0
 16 38  1  0  0  0  0
 17 23  1  0  0  0  0
 17 39  1  0  0  0  0
 18 24  2  0  0  0  0
 18 40  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 19 25  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 20 26  1  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 26  3  0  0  0  0
M  END
$$$$

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2025-05-12, 2389👍, 0💬