Molecule FYI-1006698

A

Molecule Summary:

ID: FYI-1006698
Names:
InChIKey: IDKCHBXABZYDOZ-UHFFFAOYSA-N
SMILES: O=C(OCCCCOCCCCO)c1ccc(C(=O)OCCCCOCCCCO)cc1

Received at FYIcenter.com on: 2024-01-11

Molecule ID: FYI-1006698 Edit

Molecule Structure InChIKey: IDKCHBXABZYDOZ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(OCCCCOCCCCO)c1ccc(C(=O)OCCCCOCCCCO)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006698
FYIcenter.com

 32 32  0  0  0  0  0  0  0  0999 V2000
   19.3990   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9741   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   11.9000    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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 15 14  2  0  0  0  0
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 17 16  2  0  0  0  0
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 28 27  1  0  0  0  0
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 30 29  1  0  0  0  0
 31 17  1  0  0  0  0
 32 31  2  0  0  0  0
 32 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006698-3D
FYIcenter.com

 70 70  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

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2024-01-24, 1883👍, 0💬