Molecule FYI-1006128

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A

Molecule Summary:

ID: FYI-1006128
Names:
InChIKey: NIHKUOHNHOWTCI-UHFFFAOYSA-N
SMILES: CC(OC(=O)c1ccccc1)c2ccccc2

Received at FYIcenter.com on: 2023-11-28

Molecule ID: FYI-1006128 Edit

Molecule Structure InChIKey: NIHKUOHNHOWTCI-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(OC(=O)c1ccccc1)c2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006128
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   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
    4.8498    2.1000    0.0000 O   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
    7.2746    2.1000    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
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  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  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  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
 10 17  1  0  0  0  0
 10 13  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006128-3D
FYIcenter.com

 31 32  0     1  0  0  0  0  0999 V2000
   -0.0957   -1.2680   -0.0816 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0262    0.5318   -1.5150 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2592   -1.5940   -0.4099 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1530   -0.4321   -0.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6626   -2.8745    0.3126 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8168    0.3727    1.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2931   -0.1925   -0.7974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0112    0.0511   -0.2848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6366   -0.1747   -0.7016 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6423    1.4458    1.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1188    0.8805   -0.4619 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.6996    0.6193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7319    1.1239   -0.8096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6096   -0.8054    0.6396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0506    1.3405   -0.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9284   -0.5887    1.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6489    0.4842    0.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3011   -1.7802   -1.4914 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5841   -2.7562    1.3995 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6891   -3.1681    0.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9893   -3.6936    0.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9420    0.1835    1.6448 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5553   -0.8258   -1.6399 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3924    2.0800    2.2105 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0154    1.0779   -1.0421 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4372    2.5341    0.8814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2847    1.8031   -1.5308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0873   -1.6527    1.0748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6118    2.1758   -0.8187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3950   -1.2551    1.7587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6757    0.6528    0.8251 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  9  1  0  0  0  0
  2  9  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 10  1  0  0  0  0
  6 22  1  0  0  0  0
  7 11  2  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 12  2  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 15  1  0  0  0  0
 13 27  1  0  0  0  0
 14 16  2  0  0  0  0
 14 28  1  0  0  0  0
 15 17  2  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-29, 362👍, 0💬