Molecule FYI-1007611

A

Molecule Summary:

ID: FYI-1007611
Names:
InChIKey: TZIPMXCFRBVMIO-UHFFFAOYSA-N
SMILES: C=C(CC(CCC(=O)OCCCC)C(=O)OCCCC)C(=O)OCCCC

Received at FYIcenter.com on: 2024-03-05

Molecule ID: FYI-1007611 Edit

Molecule Structure InChIKey: TZIPMXCFRBVMIO-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(CC(CCC(=O)OCCCC)C(=O)OCCCC)C(=O)OCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1007611
FYIcenter.com

 27 26  0  0  0  0  0  0  0  0999 V2000
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  5  3  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
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 11 10  1  0  0  0  0
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 13 12  2  0  0  0  0
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 15 14  1  0  0  0  0
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 17 16  1  0  0  0  0
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 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007611-3D
FYIcenter.com

 63 62  0  0  1  0  0  0  0  0999 V2000
    2.5844   -0.0750    1.4589 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1376    1.5268   -1.8053 C   0  0  3  0  0  0  0  0  0  0  0  0
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    0.3297    3.4320   -1.8025 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7439    1.8473   -5.6436 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
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  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
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  5  6  1  0  0  0  0
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  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
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 21 22  2  0  0  0  0
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 25 26  1  0  0  0  0
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M  END
$$$$

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2024-03-17, 159👍, 0💬