Molecule FYI-1016376

A

Molecule Summary:

ID: FYI-1016376
Names:
InChIKey: KEMYDSIZEFZYSK-CMDGGOBGSA-N
SMILES: COc2ccc(/C=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)cc2

Received at FYIcenter.com on: 2025-12-12

Molecule ID: FYI-1016376 Edit

Molecule Structure InChIKey: KEMYDSIZEFZYSK-CMDGGOBGSA-N

Molecule Structure SMILES String: COc2ccc(/C=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016376
FYIcenter.com

 25 26  0  0  0  0  0  0  0  0999 V2000
    7.0871    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6120    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2120    2.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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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 24 21  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016376-3D
FYIcenter.com

 55 56  0     0  0  0  0  0  0999 V2000
    4.7155    0.3333   -0.1066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2925   -0.5572    0.1771 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7956   -2.3564   -0.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0089    2.5976    0.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8456   -1.1524   -0.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4945    1.1959    0.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3711    0.1157   -0.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9769   -3.6656   -0.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7657   -2.3648    1.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6579   -2.3568   -1.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0704    3.5286    0.9227 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1072    3.1867   -1.3454 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4320    2.7782    0.7184 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4982   -1.4096    0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1198    0.9735    0.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6216   -0.3292    0.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7679    0.3560   -0.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2204    0.1161   -0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6998   -0.9464    0.7461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0779    0.9577   -0.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0747   -1.1736    0.8067 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 55  1  0  0  0  0
M  END
$$$$

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