Molecule FYI-1004076

A

Molecule Summary:

ID: FYI-1004076
Names:
InChIKey: WGTVOMRFGXKBHV-UHFFFAOYSA-N
SMILES: O=C4C(=O)C3C(OC2c1ccccc1C(=O)C(=O)C23)c5ccccc45

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

Molecule ID: FYI-1004076 Edit

Molecule Structure InChIKey: WGTVOMRFGXKBHV-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-1004076
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  1  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  1  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-1004076-3D
FYIcenter.com

 37 41  0  0  1  0  0  0  0  0999 V2000
    1.2857    0.5488   -1.0785 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4696    0.5127   -0.7792 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2420   -0.7957   -0.7893 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2368   -1.5648   -1.7380 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9871   -0.9829    0.4890 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0220    0.1043    0.6836 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2632   -0.4133    0.1723 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2155   -1.8712    0.2295 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3273   -2.4881    1.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6844   -2.2892    0.7972 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6977   -2.8971    1.5726 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3801   -3.7081    2.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0502   -3.9422    2.9608 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0534   -3.3549    2.1716 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6719   -3.6690    2.5249 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3196   -4.6517    3.1497 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6885   -2.6422    2.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399   -2.1440    2.9144 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7830   -2.2520    0.6328 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5508    1.4776    0.2248 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3027    2.6138    0.5496 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7118    3.8827    0.5188 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3696    4.0345    0.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6357    2.9306   -0.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2400    1.6703   -0.2713 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1910   -0.8856    1.2373 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1903    0.2085    1.7643 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3925   -2.2094   -0.8012 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9805   -1.6730   -0.0546 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7412   -2.7460    1.3137 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1616   -4.1612    3.2664 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7794   -4.5710    3.8095 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4041   -3.0873    0.0359 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3299    2.5140    0.8959 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2867    4.7555    0.8223 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8963    5.0129    0.2173 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5909    3.0485   -0.5404 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  1  0  0  0  0
  5 19  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  2  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  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
 19 33  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 34  1  0  0  0  0
 22 23  1  0  0  0  0
 22 35  1  0  0  0  0
 23 24  2  0  0  0  0
 23 36  1  0  0  0  0
 24 25  1  0  0  0  0
 24 37  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-05, 1829👍, 0💬