Molecule FYI-1002832

A

Molecule Summary:

ID: FYI-1002832
Names:
InChIKey: BJKUXYQNBWGORD-SDNWHVSQSA-N
SMILES: CC14CCC=CC1=CCC3C2CC/C(=C\\C(=O)O)C2(C)CC(=O)C34

Received at FYIcenter.com on: 2023-04-23

Molecule ID: FYI-1002832 Edit

Molecule Structure InChIKey: BJKUXYQNBWGORD-SDNWHVSQSA-N

Molecule Structure SMILES String: CC14CCC=CC1=CCC3C2CC/C(=C\C(=O)O)C2(C)CC(=O)C34

Download SDF Download SVG Structure in 2D SDF:

FYI-1002832
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
    8.0877    1.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0245    2.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4571    0.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8265    0.4584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7634    1.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3306    2.8302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9613    3.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.8235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8759    2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 21  1  0  0  0  0
 24 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002832-3D
FYIcenter.com

 50 53  0  0  1  0  0  0  0  0999 V2000
    0.9607    0.7209   -2.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5940   -0.7067   -2.3648 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6281   -1.5941   -1.4272 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6104   -3.1537   -1.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1346   -3.7664   -2.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9283   -2.9459   -3.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3560   -1.5679   -3.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4642   -0.9774   -4.7904 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8371   -1.1853   -5.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8485   -0.8705   -4.1656 C   0  0  3  0  0  0  0  0  0  0  0  0
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 24 50  1  0  0  0  0
M  END
$$$$

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2023-05-31, 2471👍, 0💬