Molecule FYI-1006690

A

Molecule Summary:

ID: FYI-1006690
Names:
InChIKey: BXBAXAGGJJHKSO-UHFFFAOYSA-N
SMILES: O=C1CCCCC(=O)OCCCCOC(=O)CCCCC(=O)OCCCCOCCCCO1

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

Molecule ID: FYI-1006690 Edit

Molecule Structure InChIKey: BXBAXAGGJJHKSO-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CCCCC(=O)OCCCCOC(=O)CCCCC(=O)OCCCCOCCCCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006690
FYIcenter.com

 33 33  0  0  0  0  0  0  0  0999 V2000
   14.6924   10.8266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4800   10.1266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6530   11.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6025   12.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3777   12.8596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0357   13.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6393   13.3595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5888   14.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2539   13.1580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7714   11.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5763    8.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.0315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2958    6.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0449    8.8456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  6  5  1  0  0  0  0
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  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
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 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 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
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 33  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006690-3D
FYIcenter.com

 73 73  0  0  0  0  0  0  0  0999 V2000
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   15.9472    0.3793   -2.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8806    0.0359   -2.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.4037   -0.6081   -5.4086 O   0  0  0  0  0  0  0  0  0  0  0  0
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 32 73  1  0  0  0  0
M  END
$$$$

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2024-01-24, 1102👍, 0💬