Molecule FYI-1007351

A

Molecule Summary:

ID: FYI-1007351
Names:
InChIKey: UWPGNGCMIAWYKT-UHFFFAOYSA-N
SMILES: CC(C)Cc1ccc(C(C)C(=O)O)cc1C(=O)c2ccccc2

Received at FYIcenter.com on: 2024-02-16

Molecule ID: FYI-1007351 Edit

Molecule Structure InChIKey: UWPGNGCMIAWYKT-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)Cc1ccc(C(C)C(=O)O)cc1C(=O)c2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007351
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
    9.6994    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
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    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
    3.6372    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    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
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0623    6.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    5.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9  8  1  0  0  0  0
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  6 16  1  0  0  0  0
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 22 23  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007351-3D
FYIcenter.com

 45 46  0  0  1  0  0  0  0  0999 V2000
    2.7293    0.2060    3.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249    0.2986    1.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8355    0.6181    1.3807 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1316    1.3451    0.7644 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6142    1.0441    0.7119 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3874    1.9329    1.4902 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7593    1.8472    1.5191 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4050    0.8857    0.7435 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9227    0.9837    0.7013 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.5444    0.2350    1.8798 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5483    0.6192   -0.6329 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5945   -0.0038   -0.7590 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8854    1.1081   -1.7103 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6408   -0.0624    0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2326   -0.0158   -0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4335   -0.9474   -0.9268 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4165   -0.4804   -1.4463 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7607   -2.3909   -1.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9656   -3.0373   -2.2682 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1691   -4.3830   -2.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1894   -5.1108   -2.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9871   -4.4965   -1.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9101    2.7178    2.0778 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3185    2.5622    2.1213 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3699   -0.8431    1.8080 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1666   -0.7927   -0.6024 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1533   -2.4993   -2.7546 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3982   -2.7624    0.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  2  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  1  0  0  0  0
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 21 43  1  0  0  0  0
 22 23  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
M  END
$$$$

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