Molecule FYI-1016671

A

Molecule Summary:

ID: FYI-1016671
Names:
InChIKey: MDWVSAYEQPLWMX-UHFFFAOYSA-N
SMILES: CC(C)(C)c2cc(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)cc(C(C)(C)C)c2O

Received at FYIcenter.com on: 2026-02-09

Molecule ID: FYI-1016671 Edit

Molecule Structure InChIKey: MDWVSAYEQPLWMX-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)c2cc(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)cc(C(C)(C)C)c2O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016671
FYIcenter.com

 31 32  0  0  0  0  0  0  0  0999 V2000
   10.2119    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6119    4.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    4.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    6.8124    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
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
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 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  1  0  0  0  0
 16  7  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
 23 17  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 24  1  0  0  0  0
 27 24  1  0  0  0  0
 28 19  1  0  0  0  0
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
 31 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016671-3D
FYIcenter.com

 75 76  0     0  0  0  0  0  0999 V2000
    4.7338   -0.0196    1.0008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7277    0.0119    0.9949 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6096   -2.5281    0.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6027    2.5183    0.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6253    2.4947    0.2703 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9851   -1.1846   -0.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958    1.2125   -0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0107    1.1926   -0.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0033   -1.2035   -0.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8350   -1.2206   -0.8861 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7556   -3.6891   -0.2781 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6626   -2.6266    1.8157 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0505   -2.7332   -0.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 71  1  0  0  0  0
 31 72  1  0  0  0  0
 31 73  1  0  0  0  0
M  END
$$$$

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2026-03-22, 819👍, 0💬