Molecule FYI-1006763

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A

Molecule Summary:

ID: FYI-1006763
Names:
InChIKey: VHYCDWMUTMEGQY-UHFFFAOYSA-N
SMILES: CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1

Received at FYIcenter.com on: 2024-01-14

Molecule ID: FYI-1006763 Edit

Molecule Structure InChIKey: VHYCDWMUTMEGQY-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006763
FYIcenter.com

 23 23  0  0  0  0  0  0  0  0999 V2000
   19.3990    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  9  1  0  0  0  0
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 22 13  1  0  0  0  0
 23 22  2  0  0  0  0
 23 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006763-3D
FYIcenter.com

 54 54  0     1  0  0  0  0  0999 V2000
    3.2498    1.3404   -0.3472 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9414    0.6481   -0.2638 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9816    1.3890    0.2464 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8396   -0.6608   -0.1720 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5540   -2.0133    0.6994 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5470   -1.2965   -0.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0016   -0.0048    0.5945 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0975   -3.2073    0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8554    0.9615    0.8849 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0986   -3.9569    0.8770 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4756   -2.8304   -1.3404 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9119    1.6298   -0.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8061    2.2169   -0.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2631    2.5314   -0.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4848   -1.8672    0.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1267    1.3967   -1.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3501    2.1539    0.8475 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7615   -4.8747    0.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.5274   -2.5835    0.3107 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  7  1  0  0  0  0
  2 37  1  0  0  0  0
  3 14  1  0  0  0  0
  3 18  1  0  0  0  0
  4 15  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
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  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
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  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 27  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
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 15 23  1  0  0  0  0
 15 40  1  0  0  0  0
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 16 41  1  0  0  0  0
 17 21  2  0  0  0  0
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 23 54  1  0  0  0  0
M  END
$$$$

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2024-01-24, 1962👍, 0💬