Molecule FYI-1010986

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A

Molecule Summary:

ID: FYI-1010986
Names:
InChIKey: HUPFGZXOMWLGNK-UHFFFAOYSA-N
SMILES: O=C(O)c2cc(c1ccc(F)cc1F)ccc2O

Received at FYIcenter.com on: 2024-07-20

Molecule ID: FYI-1010986 Edit

Molecule Structure InChIKey: HUPFGZXOMWLGNK-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c2cc(c1ccc(F)cc1F)ccc2O

Download SDF Download SVG Structure in 2D SDF:

FYI-1010986
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 18 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010986-3D
FYIcenter.com

 26 27  0     0  0  0  0  0  0999 V2000
   -1.4539    0.5010   -2.1801 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4044   -0.6384    0.1568 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1226    1.3300    0.2247 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8226   -2.5466    0.3592 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4152   -1.2710   -0.6421 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0587    0.4773    0.1874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3588    0.1880    0.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9831   -0.5552    0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5008    1.7893    0.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3497   -0.2756    0.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0693    0.2103   -1.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0148   -0.1137    1.3691 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917    1.0363    0.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8673    2.0688    0.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4358   -0.0690   -1.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3813   -0.3929    1.3623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0919   -0.3705    0.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2985   -1.3679   -0.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6235   -1.5721   -0.1157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2064    2.6060    0.4818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4762   -0.1355    2.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1975    3.0956    0.5018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9893   -0.0511   -1.9653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8926   -0.6277    2.2913 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2354    2.2876    0.3526 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4678   -3.2763    0.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 17  1  0  0  0  0
  3 13  1  0  0  0  0
  3 25  1  0  0  0  0
  4 18  1  0  0  0  0
  4 26  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  9 14  2  0  0  0  0
  9 20  1  0  0  0  0
 10 13  2  0  0  0  0
 10 18  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 14 22  1  0  0  0  0
 15 17  2  0  0  0  0
 15 23  1  0  0  0  0
 16 17  1  0  0  0  0
 16 24  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-08-06, 1401👍, 0💬