Molecule FYI-1005170

A

Molecule Summary:

ID: FYI-1005170
Names:
InChIKey: QNAHUHWOOZRWSM-UHFFFAOYSA-N
SMILES: CCCCCN(CCCCC(=O)OC(C)CCC)CCCCC(=O)OC(C)CCC

Received at FYIcenter.com on: 2023-10-16

Molecule ID: FYI-1005170 Edit

Molecule Structure InChIKey: QNAHUHWOOZRWSM-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCN(CCCCC(=O)OC(C)CCC)CCCCC(=O)OC(C)CCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1005170
FYIcenter.com

 30 29  0  0  0  0  0  0  0  0999 V2000
    7.2746    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   12.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   14.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871   16.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996   16.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   16.8002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996   18.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   18.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121   20.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1246   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872   18.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  4  7  2  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  2  0  0  0  0
  6 22  1  0  0  0  0
 22 23  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 23 27  1  0  0  0  0
 26 28  1  0  0  0  0
  6 29  1  0  0  0  0
 24 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005170-3D
FYIcenter.com

 79 78  0  0  1  0  0  0  0  0999 V2000
    3.8439    2.1194    1.6293 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6123    0.9721    0.6626 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4662    1.0719   -0.6078 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1608   -0.1238   -1.5134 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4156   -0.2456   -2.7865 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7220    3.8218    1.8229 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8289    5.8633   -4.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9475    2.8707    3.7074 H   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
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  5  6  1  0  0  0  0
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  8  9  1  0  0  0  0
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  8 45  1  0  0  0  0
  9 10  1  0  0  0  0
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  9 47  1  0  0  0  0
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 23 24  2  0  0  0  0
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 26 28  1  0  0  0  0
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 30 79  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-02, 298👍, 0💬