Molecule FYI-1002042

A

Molecule Summary:

ID: FYI-1002042
Names:
InChIKey: XRMBQHTWUBGQDN-UHFFFAOYSA-N
SMILES: C=CC(=O)OCC(CC)(COCC(CC)(COC(=O)C=C)COC(=O)C=C)COC(=O)C=C

Received at FYIcenter.com on: 2023-01-22

Molecule ID: FYI-1002042 Edit

Molecule Structure InChIKey: XRMBQHTWUBGQDN-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC(=O)OCC(CC)(COCC(CC)(COC(=O)C=C)COC(=O)C=C)COC(=O)C=C

Download SDF Download SVG Structure in 2D SDF:

FYI-1002042
FYIcenter.com

 33 32  0  0  0  0  0  0  0  0999 V2000
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    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
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 15 14  2  0  0  0  0
 16  7  1  0  0  0  0
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 19 18  2  0  0  0  0
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 21 20  2  0  0  0  0
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 23 22  1  0  0  0  0
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 26 24  1  0  0  0  0
 27 26  2  0  0  0  0
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 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 30  1  0  0  0  0
 33 32  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002042-3D
FYIcenter.com

 67 66  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

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2023-01-22, 1321👍, 0💬