Molecule FYI-1012673

A

Molecule Summary:

ID: FYI-1012673
Names:
InChIKey: ZOWYFYXTIWQBEP-UHFFFAOYSA-N
SMILES: CCOc3ccc(Cc1nccc2cc(OCC)c(OCC)cc12)cc3OCC

Received at FYIcenter.com on: 2024-10-08

Molecule ID: FYI-1012673 Edit

Molecule Structure InChIKey: ZOWYFYXTIWQBEP-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOc3ccc(Cc1nccc2cc(OCC)c(OCC)cc12)cc3OCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1012673
FYIcenter.com

 29 31  0  0  0  0  0  0  0  0999 V2000
    8.4870    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 O   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
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   12.6000    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
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  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
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 19 18  1  0  0  0  0
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 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 17  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27  5  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012673-3D
FYIcenter.com

 58 60  0     0  0  0  0  0  0999 V2000
   -4.7067   -1.7140   -0.6365 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8650    0.7753   -0.2183 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7023   -0.9917    1.6587 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0261   -0.5082   -0.7373 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4947    1.3965   -0.2840 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7216    0.4000   -0.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3798   -0.9666   -0.6502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3276    0.3331   -0.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8883   -0.8444   -0.6698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5412   -0.7301   -0.5382 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9292   -0.6058   -0.4833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5098    0.6429   -0.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4716    2.7797   -0.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5526   -0.6018   -1.8720 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0994    2.5919   -0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6688   -0.6197   -0.7063 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9429   -0.4893   -1.8903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5274   -2.7670    0.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6460    0.1462    3.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8854    0.9837   -0.5146 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1017   -1.6787    0.1376 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0577   -1.4062   -1.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.4473    0.9784    0.3301 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
  1 22  1  0  0  0  0
  2 14  1  0  0  0  0
  2 23  1  0  0  0  0
  3 18  1  0  0  0  0
  3 24  1  0  0  0  0
  4 20  1  0  0  0  0
  4 25  1  0  0  0  0
  5  8  2  0  0  0  0
  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  9 12  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 10 17  1  0  0  0  0
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 17 21  2  0  0  0  0
 17 36  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 38  1  0  0  0  0
 22 26  1  0  0  0  0
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 22 40  1  0  0  0  0
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 23 42  1  0  0  0  0
 24 28  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 29  1  0  0  0  0
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 26 48  1  0  0  0  0
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 28 55  1  0  0  0  0
 29 56  1  0  0  0  0
 29 57  1  0  0  0  0
 29 58  1  0  0  0  0
M  END
$$$$

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