Molecule FYI-1014922

A

Molecule Summary:

ID: FYI-1014922
Names:
InChIKey: VNLOMYWOHQMNOD-PPDJTBFDSA-N
SMILES: C[C@@H]3CCC2=C(Cc1ccc(F)cc1)C(=O)O[C@]25[C@H]3CC[C@@]4(C)O[C@H]45

Received at FYIcenter.com on: 2025-06-09

Molecule ID: FYI-1014922 Edit

Molecule Structure InChIKey: VNLOMYWOHQMNOD-PPDJTBFDSA-N

Molecule Structure SMILES String: C[C@@H]3CCC2=C(Cc1ccc(F)cc1)C(=O)O[C@]25[C@H]3CC[C@@]4(C)O[C@H]45

Download SDF Download SVG Structure in 2D SDF:

FYI-1014922
FYIcenter.com

 25 29  0  0  1  0  0  0  0  0999 V2000
   11.2866    4.9163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0613    2.3869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4394    2.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3821    3.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9467    4.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5113    5.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6612    4.7231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6259    3.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1645    5.0674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3876    5.9939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1006    5.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8805    6.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6604    5.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4402    6.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2202    5.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2202    4.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4402    3.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6604    4.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3076    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2478    4.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3052    2.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7405    1.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1186    1.3399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5540    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6806    7.3720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  1  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  6  0  0  0
  7  6  1  6  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  8  2  1  0  0  0  0
  8  9  1  6  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20 11  2  0  0  0  0
 20  8  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 23  2  1  0  0  0  0
 23 24  1  6  0  0  0
 25 10  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014922-3D
FYIcenter.com

 48 52  0     1  0  0  0  0  0999 V2000
   -6.0754    1.3058    1.1652 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7107   -1.6358    0.2646 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1059   -1.4464    0.8900 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6834   -2.8861    0.8865 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5796   -0.3845    0.0370 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8789   -0.8298   -0.5964 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2218   -0.3462   -0.0814 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7533    0.9182    0.8628 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2861    0.6205    1.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9600    0.7681    1.8117 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8355    2.1711   -0.0658 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4451   -0.2176   -0.9180 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6302    2.2298   -1.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4710    0.9470   -1.8472 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4126   -0.4003   -0.9837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5089   -1.1291   -0.7292 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9078    3.4773    0.7301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0742   -1.9404    0.4165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8107   -1.3444   -1.4011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9529   -0.6356   -0.7143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6735   -1.2824    0.2897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2872    0.6673   -1.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7283   -0.6264    0.9243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3418    1.3233   -0.4489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0624    0.6765    0.5550 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7887   -1.1580   -1.6237 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8689    1.0353    1.5075 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5975    1.6016    0.6887 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0619    0.3013    1.7729 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8066   -0.1154    2.4452 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0210    1.6165    2.5019 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7397    2.1099   -0.6844 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7457    3.0766   -1.7182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2893    2.4128   -0.4582 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3112    0.8414   -2.5434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4358    1.0074   -2.4559 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3138   -1.1816   -1.7448 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3213   -0.6051   -0.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5404    0.5567   -1.4995 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8897    4.3426    0.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8327    3.5412    1.3107 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0289   -2.4183   -1.4682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4275   -2.2986    0.5851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7403    1.1836   -1.8670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2900   -1.1300    1.7054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6029    2.3374   -0.7369 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  4 18  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 11 32  1  0  0  0  0
 12 14  1  0  0  0  0
 12 16  2  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 19 20  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 45  1  0  0  0  0
 22 24  2  0  0  0  0
 22 46  1  0  0  0  0
 23 25  2  0  0  0  0
 23 47  1  0  0  0  0
 24 25  1  0  0  0  0
 24 48  1  0  0  0  0
M  END
$$$$

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