Molecule FYI-1007311

A

Molecule Summary:

ID: FYI-1007311
Names:
InChIKey: KNRYDTWZFARWAO-UHFFFAOYSA-N
SMILES: CC(C)Cc2ccc(C(C)C(=O)O)c(C(=O)c1ccccc1)c2

Received at FYIcenter.com on: 2024-02-15

Molecule ID: FYI-1007311 Edit

Molecule Structure InChIKey: KNRYDTWZFARWAO-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)Cc2ccc(C(C)C(=O)O)c(C(=O)c1ccccc1)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007311
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
    9.6995    7.0000    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
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 22  4  1  0  0  0  0
 23  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007311-3D
FYIcenter.com

 45 46  0  0  1  0  0  0  0  0999 V2000
    3.1050    2.3569    1.7994 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5163    0.9802    2.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    1.0493    2.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0550   -0.1236    1.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5534   -0.3063    1.2688 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1739   -0.6782    2.4604 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5686   -0.7057    2.5595 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3970   -0.4170    1.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9143   -0.2873    1.6383 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2655    1.1443    2.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6057   -1.2428    2.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1114   -1.7778    3.5950 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7581   -0.1320    0.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5107    0.1955   -1.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5314    0.8816   -0.9613 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4506    0.4790   -3.4962 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2313   -0.9264    1.5395 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
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  4  5  1  0  0  0  0
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  5 23  2  0  0  0  0
  6  7  2  0  0  0  0
  6 33  1  0  0  0  0
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 23 45  1  0  0  0  0
M  END
$$$$

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