Molecule FYI-1005115

A

Molecule Summary:

ID: FYI-1005115
Names:
InChIKey: FERHXYDKUSCKHE-RBUKOAKNSA-N
SMILES: CCCCCC[C@H]1C[C@H]1CCCCCCCc2cc(O)c(Cl)c(O)c2

Received at FYIcenter.com on: 2023-10-15

Molecule ID: FYI-1005115 Edit

Molecule Structure InChIKey: FERHXYDKUSCKHE-RBUKOAKNSA-N

Molecule Structure SMILES String: CCCCCC[C@H]1C[C@H]1CCCCCCCc2cc(O)c(Cl)c(O)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1005115
FYIcenter.com

 25 26  0  0  1  0  0  0  0  0999 V2000
   10.3995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6120    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7368    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4124    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
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 24 23  1  0  0  0  0
 25 23  2  0  0  0  0
 25 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005115-3D
FYIcenter.com

 60 61  0     1  0  0  0  0  0999 V2000
    8.7542   -1.5504   -1.2969 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0280    1.2849   -0.6967 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5139   -3.2632   -0.3095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6074    3.0149   -0.5616 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -3.5095    2.7389    0.4195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4981    0.5403   -0.5328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2137    2.2604   -0.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
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 24 25  2  0  0  0  0
M  END
$$$$

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2023-10-27, 2243👍, 0💬