Molecule FYI-1004443

A

Molecule Summary:

ID: FYI-1004443
Names:
InChIKey: GYFAGKUZYNFMBN-AQZSQYOVSA-N
SMILES: [2H]c1c([2H])c2c([2H])c([2H])c3c([2H])c([2H])c4c([2H])c([2H])c5c([2H])c([2H])c([2H])c6c(c1[2H])c2c3c4c56

Received at FYIcenter.com on: 2023-09-05

Molecule ID: FYI-1004443 Edit

Molecule Structure InChIKey: GYFAGKUZYNFMBN-AQZSQYOVSA-N

Molecule Structure SMILES String: [2H]c1c([2H])c2c([2H])c([2H])c3c([2H])c([2H])c4c([2H])c([2H])c5c([2H])c([2H])c([2H])c6c(c1[2H])c2c3c4c56

Download SDF Download SVG Structure in 2D SDF:

FYI-1004443
FYIcenter.com

 34 39  0  0  0  0  0  0  0  0999 V2000
    8.4870    8.4000    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    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
    6.0622    1.4000    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    3.5000    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
    2.4248    3.5000    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
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 H   1  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
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 H   1  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  3  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
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24  5  1  0  0  0  0
 24 15  1  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
 26  4  1  0  0  0  0
 27 26  1  0  0  0  0
 28 25  1  0  0  0  0
 29 22  1  0  0  0  0
 30 21  1  0  0  0  0
 31 12  1  0  0  0  0
 32 11  1  0  0  0  0
 33 10  1  0  0  0  0
 34  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004443-3D
FYIcenter.com

 34 39  0     0  0  0  0  0  0999 V2000
    0.7059    0.8706    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7060    0.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4165   -0.3533    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4164   -0.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7180   -1.5896   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7179   -1.5896    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4073    2.1020    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4074    2.1018   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8379   -0.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8378   -0.3227   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6960    3.3066    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6963    3.3064   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8050    2.1025    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8052    2.1023   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5038   -2.7680   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5036   -2.7681    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5118    0.9036    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5119    0.9035   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5620   -1.5171   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5618   -1.5173    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8980   -2.7341   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8978   -2.7343    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2185    4.2609    0.0003 H   1  0  0  0  0  0  0  0  0  0  0  0
   -1.2191    4.2607   -0.0004 H   1  0  0  0  0  0  0  0  0  0  0  0
    3.3612    3.0376    0.0004 H   1  0  0  0  0  0  0  0  0  0  0  0
   -3.3614    3.0374   -0.0008 H   1  0  0  0  0  0  0  0  0  0  0  0
    1.0445   -3.7530   -0.0007 H   1  0  0  0  0  0  0  0  0  0  0  0
   -1.0442   -3.7530    0.0008 H   1  0  0  0  0  0  0  0  0  0  0  0
    4.5995    0.9402    0.0002 H   1  0  0  0  0  0  0  0  0  0  0  0
   -4.5995    0.9400   -0.0005 H   1  0  0  0  0  0  0  0  0  0  0  0
    4.6497   -1.5120   -0.0005 H   1  0  0  0  0  0  0  0  0  0  0  0
   -4.6496   -1.5123    0.0001 H   1  0  0  0  0  0  0  0  0  0  0  0
    3.4626   -3.6620   -0.0010 H   1  0  0  0  0  0  0  0  0  0  0  0
   -3.4624   -3.6622    0.0009 H   1  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  7  2  0  0  0  0
  2  4  1  0  0  0  0
  2  8  2  0  0  0  0
  3  5  1  0  0  0  0
  3  9  2  0  0  0  0
  4  6  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  5 15  2  0  0  0  0
  6 16  2  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8 12  1  0  0  0  0
  8 14  1  0  0  0  0
  9 17  1  0  0  0  0
  9 19  1  0  0  0  0
 10 18  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  2  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 17  2  0  0  0  0
 13 25  1  0  0  0  0
 14 18  2  0  0  0  0
 14 26  1  0  0  0  0
 15 21  1  0  0  0  0
 15 27  1  0  0  0  0
 16 22  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 21  2  0  0  0  0
 19 31  1  0  0  0  0
 20 22  2  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-16, 949👍, 0💬