Molecule FYI-1004075

A

Molecule Summary:

ID: FYI-1004075
Names:
InChIKey: HZPLXBSZHIHWRT-UHFFFAOYSA-N
SMILES: O=c2c1ccccc1c(=O)c5c2oc4c(=O)c3ccccc3c(=O)c45

Received at FYIcenter.com on: 2023-08-10

Molecule ID: FYI-1004075 Edit

Molecule Structure InChIKey: HZPLXBSZHIHWRT-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c2c1ccccc1c(=O)c5c2oc4c(=O)c3ccccc3c(=O)c45

Download SDF Download SVG Structure in 2D SDF:

FYI-1004075
FYIcenter.com

 25 29  0  0  0  0  0  0  0  0999 V2000
    1.2125    2.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1812    2.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    3.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1812    5.1159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7507    1.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1430    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9659    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3965    3.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7124    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1048    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9277    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3582    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.7832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.1832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9278    0.4390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2194    4.9695    0.0000 O   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
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  9 13  1  0  0  0  0
  8 11  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 11 14  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 15 18  2  0  0  0  0
 10 22  2  0  0  0  0
  7 23  2  0  0  0  0
 14 24  2  0  0  0  0
 17 25  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004075-3D
FYIcenter.com

 33 37  0     0  0  0  0  0  0999 V2000
    0.0000    1.9188    0.0012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4278   -2.4676    0.0007 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4278   -2.4676    0.0019 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6981    2.8016    0.0012 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6980    2.8016   -0.0009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7079   -0.2319    0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7080   -0.2320    0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0793    1.0953    0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0795    1.0953    0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7075   -1.2763    0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7075   -1.2763    0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1331   -0.8147    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1331   -0.8148    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4719    0.5573   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4719    0.5573   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4131    1.6114    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4130    1.6114    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1497   -1.7766   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1496   -1.7766   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8161    0.9453   -0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8161    0.9454   -0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4876   -1.3789   -0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4876   -1.3789   -0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8192   -0.0243   -0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8192   -0.0243   -0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9223   -2.8392   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9224   -2.8393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1020    1.9935   -0.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1019    1.9936   -0.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2743   -2.1280   -0.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2743   -2.1281   -0.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8629    0.2770   -0.0043 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8629    0.2770   -0.0037 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 10  2  0  0  0  0
  3 11  2  0  0  0  0
  4 16  2  0  0  0  0
  5 17  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 18  2  0  0  0  0
 13 15  1  0  0  0  0
 13 19  2  0  0  0  0
 14 16  1  0  0  0  0
 14 20  2  0  0  0  0
 15 17  1  0  0  0  0
 15 21  2  0  0  0  0
 18 22  1  0  0  0  0
 18 26  1  0  0  0  0
 19 23  1  0  0  0  0
 19 27  1  0  0  0  0
 20 24  1  0  0  0  0
 20 28  1  0  0  0  0
 21 25  1  0  0  0  0
 21 29  1  0  0  0  0
 22 24  2  0  0  0  0
 22 30  1  0  0  0  0
 23 25  2  0  0  0  0
 23 31  1  0  0  0  0
 24 32  1  0  0  0  0
 25 33  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-05, 1206👍, 0💬