Molecule FYI-1004688

A

Molecule Summary:

ID: FYI-1004688
Names:
InChIKey: OSGJRHOJQRWCCW-KQWYESAVSA-N
SMILES: CC/C=C/CC/C=C/C(=O)NCc1ccc(P)c(OC)c1

Received at FYIcenter.com on: 2023-09-22

Molecule ID: FYI-1004688 Edit

Molecule Structure InChIKey: OSGJRHOJQRWCCW-KQWYESAVSA-N

Molecule Structure SMILES String: CC/C=C/CC/C=C/C(=O)NCc1ccc(P)c(OC)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1004688
FYIcenter.com

 21 21  0  0  0  0  0  0  0  0999 V2000
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004688-3D
FYIcenter.com

 45 45  0  0  0  0  0  0  0  0999 V2000
    4.5656   -0.8498    2.7636 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6285   -0.9484    1.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1517   -1.9121    0.5468 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4455   -1.5746   -0.7214 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9656   -2.5530   -1.7415 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3404   -2.1343   -2.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8768   -3.1075   -3.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1846   -3.3581   -3.4864 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6197   -4.3431   -4.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8157   -4.9303   -5.2403 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9804   -4.5110   -4.6012 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5721   -5.4162   -5.5703 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8124   -6.7976   -5.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8524   -7.8101   -5.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0668   -9.0835   -4.6149 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2593   -7.6677   -2.7180 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9939   -7.0963   -4.3085 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3136   -9.8514   -4.7775 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2440  -10.6153   -1.7488 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7536   -6.3255   -4.2464 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  3  4  2  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  2  0  0  0  0
  7 33  1  0  0  0  0
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 21 45  1  0  0  0  0
M  END
$$$$

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2023-09-25, 849👍, 0💬