Molecule FYI-1012170

A

Molecule Summary:

ID: FYI-1012170
Names:
InChIKey: BUACOWOGXVQEBF-UHFFFAOYSA-N
SMILES: CCCCCCCC(CC(CCc1ccc(O)c(OC)c1)OC(C)=O)OC(C)=O

Received at FYIcenter.com on: 2024-08-16

Molecule ID: FYI-1012170 Edit

Molecule Structure InChIKey: BUACOWOGXVQEBF-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCC(CC(CCc1ccc(O)c(OC)c1)OC(C)=O)OC(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1012170
FYIcenter.com

 29 29  0  0  0  0  0  0  0  0999 V2000
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    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
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    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
    6.0621    0.7000    0.0000 C   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
    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
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    4.8497    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    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 O   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
    6.0621    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  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
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  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  2  0  0  0  0
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 19 16  1  0  0  0  0
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 21 20  1  0  0  0  0
 22 10  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26  8  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012170-3D
FYIcenter.com

 65 65  0  0  1  0  0  0  0  0999 V2000
    3.0961   -1.2729    5.9456 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2884   -1.4616    5.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1262   -0.2032    4.7801 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8902    0.4378    5.9429 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9073   -0.3698    6.7796 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3861   -0.3932    6.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4546   -1.6192    4.0114 C   0  0  3  0  0  0  0  0  0  0  0  0
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    6.5777    0.2111    0.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -0.5825   -1.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5993    0.0254   -2.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4118   -0.5340   -3.4838 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8321   -3.9383   -4.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9894   -1.8117   -1.5598 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4097    0.8750    1.1844 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3118    2.1009    1.7791 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1 30  1  0  0  0  0
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  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
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  5  6  1  0  0  0  0
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 10 11  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 27 29  2  0  0  0  0
 28 63  1  0  0  0  0
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 28 65  1  0  0  0  0
M  END
$$$$

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2024-09-12, 1247👍, 0💬