Molecule FYI-1003298

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A

Molecule Summary:

ID: FYI-1003298
Names:
InChIKey: UPKGPLHHQZULKX-UHFFFAOYSA-N
SMILES: CCOc1ccccc1c3cnc(c2cccc(OC)c2OC)o3

Received at FYIcenter.com on: 2023-05-31

Molecule ID: FYI-1003298 Edit

Molecule Structure InChIKey: UPKGPLHHQZULKX-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOc1ccccc1c3cnc(c2cccc(OC)c2OC)o3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003298
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    5.8273    3.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2599    4.8757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1273    5.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9946    4.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4273    3.5441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6631    5.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6502    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3720    6.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0405    7.1102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6227    4.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0807    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9036    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2959    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8652    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0424    2.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6118    3.8368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042    3.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2575    1.5718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0806    0.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4124    7.6143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1520    8.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2131    9.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  1  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  6 12  1  0  0  0  0
  6  8  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  7 17  1  0  0  0  0
  7 13  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
  8 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003298-3D
FYIcenter.com

 43 45  0     0  0  0  0  0  0999 V2000
    0.6669    0.2267    0.4567 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3151   -1.6624   -0.2007 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9099    1.4511   -1.1014 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2129    0.0906   -0.4311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3094    2.1509   -0.2212 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0075    0.6068    0.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6924    0.2433    0.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501    1.0896    0.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4765    0.9354    0.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8781    0.5172   -0.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2983   -0.7500    0.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6764   -0.7135    1.5901 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0535    2.2558   -0.3331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0478   -0.1657    0.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0335    1.5173    0.4401 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6152   -1.1963    0.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8461   -1.3965    1.9233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0318   -1.1225    1.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3504    1.0712    0.5508 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6413   -0.2857    0.4092 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4213   -2.4172   -1.4055 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0322   -2.7879   -1.8791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6423    0.9938   -2.4244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3618   -0.6522   -0.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7702   -0.9433    2.1455 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5202    3.1575   -0.7018 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8318    2.5793    0.5584 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8574   -2.2509    0.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9003   -1.6914    1.5545 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1494    1.7797    0.7487 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6664   -0.6333    0.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9264   -1.8389   -2.1892 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0005   -3.3255   -1.2071 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5036   -3.3630   -1.1116 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0764   -3.3805   -2.7970 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4368   -1.8881   -2.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6360    1.8606   -3.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6656    0.5029   -2.4822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4255    0.3049   -2.7560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1960   -0.3205   -0.6549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2339   -1.7246   -0.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6389   -0.4358    1.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 11  1  0  0  0  0
  2 21  1  0  0  0  0
  3 10  1  0  0  0  0
  3 23  1  0  0  0  0
  4 14  1  0  0  0  0
  4 24  1  0  0  0  0
  5  9  2  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 15  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  2  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 27  1  0  0  0  0
 16 20  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 20  2  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
 21 22  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
M  END
$$$$

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2023-06-19, 3303👍, 0💬