Molecule FYI-1011360

A

Molecule Summary:

ID: FYI-1011360
Names:
InChIKey: NBLIPZBCGXIEFO-UHFFFAOYSA-N
SMILES: CC(C)(c1ccc(OCC(O)CO)cc1)c3ccc(OCC2CO2)cc3

Received at FYIcenter.com on: 2024-08-05

Molecule ID: FYI-1011360 Edit

Molecule Structure InChIKey: NBLIPZBCGXIEFO-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(c1ccc(OCC(O)CO)cc1)c3ccc(OCC2CO2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1011360
FYIcenter.com

 26 28  0  0  0  0  0  0  0  0999 V2000
    9.2647    2.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5649    3.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9647    3.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3525    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1403    3.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9281    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9281    1.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1403    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5649    4.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7771    9.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7771   11.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9895   11.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5646   11.8962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2019   11.1962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  9  4  1  0  0  0  0
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 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
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 14  2  1  0  0  0  0
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 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 13 26  1  0  0  0  0
 26 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011360-3D
FYIcenter.com

 52 54  0     1  0  0  0  0  0999 V2000
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    4.2774    0.2287   -0.8868 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7438    1.5857   -1.1000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4614    3.3593    0.9068 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5197   -2.6161    0.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3196    2.5971   -0.0077 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7403   -1.6668    0.2616 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7462   -1.8653   -0.2201 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8425   -1.7178   -0.5918 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8650    1.8127    0.0044 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7148    2.1860    1.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9906    3.5726    1.6943 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
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  3 23  1  0  0  0  0
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  4 25  1  0  0  0  0
  4 51  1  0  0  0  0
  5 26  1  0  0  0  0
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  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
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  7 27  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 17  2  0  0  0  0
 10 18  1  0  0  0  0
 11 30  1  0  0  0  0
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 16 19  2  0  0  0  0
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 17 40  1  0  0  0  0
 18 22  2  0  0  0  0
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 25 26  1  0  0  0  0
 25 48  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-08-14, 1726👍, 0💬