Molecule FYI-1002609

A

Molecule Summary:

ID: FYI-1002609
Names:
InChIKey: UDXDFWBZZQHDRO-UHFFFAOYSA-N
SMILES: CC(=O)OC5CCC4(C)C3CC=C2C1C(C)C(C)CCC1(C)CCC2(C)C3(C)CCC4C5(C)C

Received at FYIcenter.com on: 2023-04-12

Molecule ID: FYI-1002609 Edit

Molecule Structure InChIKey: UDXDFWBZZQHDRO-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)OC5CCC4(C)C3CC=C2C1C(C)C(C)CCC1(C)CCC2(C)C3(C)CCC4C5(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1002609
FYIcenter.com

 34 38  0  0  0  0  0  0  0  0999 V2000
   13.3570    6.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1427    7.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1427    8.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9285    9.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7142    8.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4999    9.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2856    8.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4285    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7209    7.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7142    7.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9285    4.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7142    9.8148    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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  4  3  1  0  0  0  0
  5  4  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
 10  9  2  0  0  0  0
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 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
 21 16  1  0  0  0  0
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 30  9  1  0  0  0  0
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 31  2  1  0  0  0  0
 32 31  1  0  0  0  0
 33  8  1  0  0  0  0
 34  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002609-3D
FYIcenter.com

 86 90  0  0  1  0  0  0  0  0999 V2000
   17.0295   -7.5345    2.9141 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6364   -7.1167    2.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5888   -5.7621    2.3761 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5842    2.7139   -0.3023 C   0  0  3  0  0  0  0  0  0  0  0  0
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   12.3383    2.4055   -1.4076 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7906    1.4580   -0.3075 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-04-17, 251👍, 0💬