Molecule FYI-1006202

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A

Molecule Summary:

ID: FYI-1006202
Names:
InChIKey: WRBOHOGDAJPJOQ-UHFFFAOYSA-N
SMILES: O=Cc3ccc2[nH]c1ccccc1c2c3

Received at FYIcenter.com on: 2023-12-02

Molecule ID: FYI-1006202 Edit

Molecule Structure InChIKey: WRBOHOGDAJPJOQ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=Cc3ccc2[nH]c1ccccc1c2c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1006202
FYIcenter.com

 15 17  0  0  0  0  0  0  0  0999 V2000
    8.1430    3.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9659    2.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3965    1.5463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1813    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7507    3.8116    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
    6.1813    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    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
    2.4249    2.1000    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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  7  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006202-3D
FYIcenter.com

 24 26  0     0  0  0  0  0  0999 V2000
    3.9610   -2.0181    0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0447    1.7905    0.0007 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2131   -0.0509    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1653   -0.4361    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2556    1.3437    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9247    0.7340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310   -0.7628    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4553    2.0644    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8375   -1.6765    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3243    0.7281   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6388   -0.0560   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6485    1.3369   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2367   -1.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9672   -0.5128   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.7858   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3168    2.7637    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4145   -1.8493    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4634    3.1492    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2818   -2.6100    0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8940    1.6514   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5895    1.8827   -0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7576   -2.6524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0534   -0.5515   -0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205   -0.1819   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7 17  1  0  0  0  0
  8 12  2  0  0  0  0
  8 18  1  0  0  0  0
  9 13  1  0  0  0  0
  9 19  1  0  0  0  0
 10 14  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  2  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
M  END
$$$$

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2023-12-10, 2244👍, 0💬