Molecule FYI-1004077

A

Molecule Summary:

ID: FYI-1004077
Names:
InChIKey: KGHUQBINMJRPLK-UHFFFAOYSA-N
SMILES: O=c4c(=O)c3c(oc2c1ccccc1c(=O)c(=O)c23)c5ccccc45

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

Molecule ID: FYI-1004077 Edit

Molecule Structure InChIKey: KGHUQBINMJRPLK-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c4c(=O)c3c(oc2c1ccccc1c(=O)c(=O)c23)c5ccccc45

Download SDF Download SVG Structure in 2D SDF:

FYI-1004077
FYIcenter.com

 25 29  0  0  0  0  0  0  0  0999 V2000
    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
    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 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
    1.2124    0.0000    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
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  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
    4.9688    2.3674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1840    3.6463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7534    4.9253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9305    6.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5382    5.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0069    2.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3992    2.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9687    3.9390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1458    5.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7153    7.0442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    7.3369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  3 10  1  0  0  0  0
  2  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
  7 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
 13 17  1  0  0  0  0
 12 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
 15 21  2  0  0  0  0
 14 18  2  0  0  0  0
 10 22  2  0  0  0  0
  9 23  2  0  0  0  0
 17 24  2  0  0  0  0
 16 25  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004077-3D
FYIcenter.com

 33 37  0  0  0  0  0  0  0  0999 V2000
    1.0487    0.6266    0.1420 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2584    0.4452    0.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8443   -0.9820    0.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0892   -1.9387    0.0291 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2856   -1.1105    0.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0632    0.0246    0.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3931   -0.2746    0.0914 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4524   -1.6351    0.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7174   -2.3441    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9649   -1.7175   -0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1356   -2.4878   -0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0707   -3.8825   -0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8328   -4.5189   -0.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6586   -3.7542   -0.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3432   -4.4620   -0.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2889   -5.6773   -0.0638 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0506   -3.6251   -0.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9734   -4.1908   -0.0769 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1912   -2.1909    0.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5941    1.3929    0.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4387    2.4815   -0.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8929    3.7570   -0.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5263    3.9761   -0.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6755    2.9007    0.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2010    1.6043    0.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0445   -0.6329    0.0094 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1084   -1.9993   -0.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9836   -4.4752   -0.0481 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7841   -5.6066   -0.0677 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5122    2.3398   -0.2085 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5333    4.5810   -0.5824 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1175    4.9806   -0.1769 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6037    3.0699    0.2463 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  2  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  2  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  2  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  2  0  0  0  0
 21 22  2  0  0  0  0
 21 30  1  0  0  0  0
 22 23  1  0  0  0  0
 22 31  1  0  0  0  0
 23 24  2  0  0  0  0
 23 32  1  0  0  0  0
 24 25  1  0  0  0  0
 24 33  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-05, 3309👍, 0💬