Molecule FYI-1012766

A

Molecule Summary:

ID: FYI-1012766
Names:
InChIKey: RIPUJAUWSZOYTQ-UHFFFAOYSA-N
SMILES: OCc1cc(O)c(O)c(O)c1.C=c1cc(C)oc2ccc(O)cc12.CC1=CC(C)C=CC1

Received at FYIcenter.com on: 2024-10-21

Molecule ID: FYI-1012766 Edit

Molecule Structure InChIKey: RIPUJAUWSZOYTQ-UHFFFAOYSA-N

Molecule Structure SMILES String: OCc1cc(O)c(O)c(O)c1.C=c1cc(C)oc2ccc(O)cc12.CC1=CC(C)C=CC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1012766
FYIcenter.com

 32 33  0  0  0  0  0  0  0  0999 V2000
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    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
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5452    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7577    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1204    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5453    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7577    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
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 16 15  1  0  0  0  0
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 18 17  1  0  0  0  0
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 20 19  1  0  0  0  0
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 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 22 13  1  0  0  0  0
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 24 18  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
 29 32  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012766-3D
FYIcenter.com

 62 63  0  0  1  0  0  0  0  0999 V2000
   -0.7387    0.9440    1.0680 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6162    1.3577    1.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9873    1.4802    2.6771 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3241    0.7247    3.6584 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5711    0.9700    5.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1338    0.3343    5.9868 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5110    1.9207    5.3793 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6919    2.2313    6.6999 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2435    2.5984    4.4158 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1632    3.5369    4.7852 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0015    2.3745    3.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9860   -1.1278   -2.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7905   -2.3875   -2.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7298    0.0552   -2.2499 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2553    3.5388   -1.2476 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8700    3.6246   -1.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
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 32 62  1  0  0  0  0
M  END
$$$$

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2024-10-25, 825👍, 0💬