Molecule FYI-1007940

A

Molecule Summary:

ID: FYI-1007940
Names:
InChIKey: KQGAIKIRKNMYOR-UHFFFAOYSA-N
SMILES: CC(C)(C)c2ccc(Oc1ccc(C(C)(C)C)cc1)cc2

Received at FYIcenter.com on: 2024-03-21

Molecule ID: FYI-1007940 Edit

Molecule Structure InChIKey: KQGAIKIRKNMYOR-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)c2ccc(Oc1ccc(C(C)(C)C)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007940
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
   11.6120    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2120    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5125    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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
 10  5  1  0  0  0  0
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 20 18  1  0  0  0  0
 21 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007940-3D
FYIcenter.com

 47 48  0     0  0  0  0  0  0999 V2000
    0.0131   -2.0077    0.0006 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8357    0.9199   -0.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8228    0.8979    0.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5212    0.1223   -0.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5445    0.1302    0.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0043   -0.0116   -0.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1014    1.5099    1.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403    2.0989   -1.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0269   -0.0147    0.4422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1310    1.5095   -1.3496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8727    2.1015    1.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4173   -0.9451    0.8173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958   -0.9612   -0.8169 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5125    0.5144   -0.8820 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1762   -1.3010   -0.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8297   -0.4769   -1.4193 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
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  3 10  1  0  0  0  0
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 18 44  1  0  0  0  0
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 21 47  1  0  0  0  0
M  END
$$$$

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2024-04-14, 151👍, 0💬