Molecule FYI-1012177

A

Molecule Summary:

ID: FYI-1012177
Names:
InChIKey: DECFQJRGLCQZIS-UHFFFAOYSA-N
SMILES: CCCCCCCC(CC(CCc1ccc(OC)c(OC)c1)OC(C)=O)OC(C)=O

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

Molecule ID: FYI-1012177 Edit

Molecule Structure InChIKey: DECFQJRGLCQZIS-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1012177
FYIcenter.com

 30 30  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
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    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
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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
 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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 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21 15  1  0  0  0  0
 22 21  1  0  0  0  0
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 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
 27  8  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012177-3D
FYIcenter.com

 68 68  0  0  1  0  0  0  0  0999 V2000
   11.5924   -2.6373   -9.4277 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8077   -2.0009   -8.7734 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9877   -2.3273   -7.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8765   -1.9121   -6.2992 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9198    0.0595   -4.9176 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1133   -6.2137   -0.9577 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0880   -7.5253    2.3499 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6939   -5.4695    1.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5 40  1  0  0  0  0
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  6 42  1  0  0  0  0
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  7 44  1  0  0  0  0
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  8 27  1  0  0  0  0
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 19 20  1  0  0  0  0
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 29 68  1  0  0  0  0
M  END
$$$$

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2024-09-12, 1327👍, 0💬