Molecule FYI-1009783

A

Molecule Summary:

ID: FYI-1009783
Names:
InChIKey: UOIUYJRBOOEFPZ-UHFFFAOYSA-N
SMILES: CCC3(c1ccccc1)CC(=O)c2ccc(O)c(O)c2O3

Received at FYIcenter.com on: 2024-05-17

Molecule ID: FYI-1009783 Edit

Molecule Structure InChIKey: UOIUYJRBOOEFPZ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC3(c1ccccc1)CC(=O)c2ccc(O)c(O)c2O3

Download SDF Download SVG Structure in 2D SDF:

FYI-1009783
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.2745    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    5.6000    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 O   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
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    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
    2.4248    1.4000    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
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    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
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12  3  1  0  0  0  0
 13 11  2  0  0  0  0
 14  7  1  0  0  0  0
 15  6  1  0  0  0  0
 16  3  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009783-3D
FYIcenter.com

 37 39  0  0  1  0  0  0  0  0999 V2000
    1.0535    0.4387    0.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5450    0.1224    0.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0306   -0.5856    1.4068 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5596   -0.7559    1.2453 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4448    0.2442    1.6916 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8223    0.1365    1.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3430   -0.9659    0.8114 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4887   -1.9688    0.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1116   -1.8663    0.5803 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2581   -1.8985    1.6079 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6807   -2.5205    2.9054 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7540   -3.7326    3.0690 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8895   -1.5824    4.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0610   -2.0658    5.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1775   -1.1709    6.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1164    0.1945    6.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2128    1.1184    7.1407 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9546    0.6704    4.8314 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9106    2.0258    4.6272 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8527   -0.2125    3.7596 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7140    0.3110    2.4990 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8256    0.9919   -0.8647 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7420    1.0550    0.9015 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4474   -0.4709    0.0381 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0764    1.0777   -0.0044 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8015   -0.4836   -0.7721 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0664    1.1298    2.2006 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4866    0.9218    1.8335 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4120   -1.0411    0.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8909   -2.8308   -0.1612 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4845   -2.6675    0.1983 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4144   -2.6084    0.7916 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1795   -1.7272    1.7009 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0887   -3.1382    5.5128 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3048   -1.5551    7.3992 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3276    0.6442    7.9829 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9976    2.4171    5.5199 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  2  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  2  0  0  0  0
 14 15  2  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-29, 180👍, 0💬