Molecule FYI-1009490

A

Molecule Summary:

ID: FYI-1009490
Names:
InChIKey: SCNAEUUVEJJBIN-UHFFFAOYSA-N
SMILES: O=C(O)C4C(C(=O)Nc2ccc1OCOc1c2)C(c3ccc(Cl)c(Cl)c3)OC46C(=O)c5ccccc5C6=O

Received at FYIcenter.com on: 2024-05-11

Molecule ID: FYI-1009490 Edit

Molecule Structure InChIKey: SCNAEUUVEJJBIN-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)C4C(C(=O)Nc2ccc1OCOc1c2)C(c3ccc(Cl)c(Cl)c3)OC46C(=O)c5ccccc5C6=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1009490
FYIcenter.com

 38 43  0  0  0  0  0  0  0  0999 V2000
    6.5253    9.8070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2339    8.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8970    7.9760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2786    7.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1316    6.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4158    5.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3564    6.5446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6536    7.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0286    8.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0733    7.1137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1755    9.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8913   10.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7444   11.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8817   12.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5849    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.0225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0447    5.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2621    6.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
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 19  6  1  0  0  0  0
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 27  5  1  0  0  0  0
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 31 30  2  0  0  0  0
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 36 35  1  0  0  0  0
 36 32  1  0  0  0  0
 37 33  1  0  0  0  0
 38 37  2  0  0  0  0
 38 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009490-3D
FYIcenter.com

 55 60  0     1  0  0  0  0  0999 V2000
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   -0.8264    6.8922    0.6711 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7368    1.0907   -2.6177 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9492   -2.8646    0.4373 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6698   -1.2109    0.1021 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4258    0.3396   -0.4859 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0368   -0.7337    0.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5748    2.3824    0.7234 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 15  1  0  0  0  0
  4 16  2  0  0  0  0
  5 17  2  0  0  0  0
  6 22  1  0  0  0  0
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  7 18  2  0  0  0  0
  8 22  2  0  0  0  0
  9 35  1  0  0  0  0
  9 38  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 18  1  0  0  0  0
 11 29  1  0  0  0  0
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 12 13  1  0  0  0  0
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 19 25  2  0  0  0  0
 19 26  1  0  0  0  0
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 23 27  1  0  0  0  0
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 24 28  1  0  0  0  0
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 26 31  2  0  0  0  0
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 36 53  1  0  0  0  0
 38 54  1  0  0  0  0
 38 55  1  0  0  0  0
M  END
$$$$

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2024-05-16, 164👍, 0💬