Molecule FYI-1015883

A

Molecule Summary:

ID: FYI-1015883
Names:
InChIKey: KHPQVZKLRDGAHP-UHFFFAOYSA-N
SMILES: CC3(C)COC(=O)c1ccc(cc1)C(=O)OCCCCOC(=O)c2ccccc2C(=O)OC3

Received at FYIcenter.com on: 2025-10-28

Molecule ID: FYI-1015883 Edit

Molecule Structure InChIKey: KHPQVZKLRDGAHP-UHFFFAOYSA-N

Molecule Structure SMILES String: CC3(C)COC(=O)c1ccc(cc1)C(=O)OCCCCOC(=O)c2ccccc2C(=O)OC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015883
FYIcenter.com

 33 35  0  0  0  0  0  0  0  0999 V2000
    2.7341    6.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3857    7.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0373    6.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2572    8.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1285    7.8190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1285    6.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3857    2.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5144    1.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6429    2.6063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5144    0.6516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5144    8.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6429    7.8190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7715    8.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7715    9.7738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0286    5.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9001    6.5158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0286    4.5611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9001    3.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9001    2.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7715    0.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6429    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1572    6.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2858    5.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4144    6.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4144    7.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2857    8.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1572    7.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3857    4.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1732    4.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9608    4.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9609    2.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1733    1.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 22 21  1  0  0  0  0
 22 11  1  0  0  0  0
 16 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
 14 28  1  0  0  0  0
 21 20  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
  8 33  1  0  0  0  0
  8 29  2  0  0  0  0
  6 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015883-3D
FYIcenter.com

 59 61  0  0  0  0  0  0  0  0999 V2000
    1.1098   -1.5370   -0.6212 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6587   -1.3907   -0.6552 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1383   -1.1222   -2.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0872   -2.8826   -0.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4071   -3.3976   -0.4187 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5612   -4.7839   -0.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9274   -5.5922    0.2609 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5834   -5.1156   -1.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8955   -5.4209   -1.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9223   -4.6327   -1.5354 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5619   -3.5650   -2.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3281   -3.5308   -3.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3527   -4.4143   -2.6195 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312   -2.3147   -2.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2466   -2.0805   -3.0123 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9679   -1.4768   -1.2124 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8640   -1.7529   -0.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6795   -0.6118    0.7047 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6632   -0.9215    1.8247 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3370    0.2944    2.7279 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9343    0.2680    3.1194 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9580    1.2257    3.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7925    0.9711    3.3307 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2807    2.5949    2.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8272    3.5983    3.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1939    4.9344    3.3559 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0406    5.2707    2.3195 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4105    4.3001    1.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9576    2.9458    1.4334 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4010    2.0408    0.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2901    2.5292   -0.4244 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0489    0.7415   -0.0056 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8469   -0.0590    0.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7627   -2.3960   -1.2016 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6056   -0.6490   -1.0081 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7885   -1.6852    0.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8614   -1.9359   -2.7622 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2265   -0.9982   -2.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6902   -0.2021   -2.4774 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4682   -3.5612   -0.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8268   -3.0536    0.8824 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1070   -6.1400   -0.2419 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9395   -4.7199   -1.1552 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0758   -2.7219   -3.7012 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3310   -4.2896   -2.9763 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0619   -2.6842    0.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9579   -1.8215   -0.9031 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3664    0.2579    0.1253 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6432   -0.3391    1.1454 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   -1.7205    2.4599 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7513   -1.3420    1.4011 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6134    1.2395    2.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9058    0.2150    3.6570 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1746    3.3330    4.3345 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8508    5.6924    4.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4247    6.2904    2.2355 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0973    4.6211    0.5889 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    0.6389    0.0188 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7841   -0.3612    1.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 33  1  0  0  0  0
  3 37  1  0  0  0  0
  3 38  1  0  0  0  0
  3 39  1  0  0  0  0
  4  5  1  0  0  0  0
  4 40  1  0  0  0  0
  4 41  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 42  1  0  0  0  0
 10 11  1  0  0  0  0
 10 43  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 19  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 19 20  1  0  0  0  0
 19 50  1  0  0  0  0
 19 51  1  0  0  0  0
 20 21  1  0  0  0  0
 20 52  1  0  0  0  0
 20 53  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 29  2  0  0  0  0
 25 26  2  0  0  0  0
 25 54  1  0  0  0  0
 26 27  1  0  0  0  0
 26 55  1  0  0  0  0
 27 28  2  0  0  0  0
 27 56  1  0  0  0  0
 28 29  1  0  0  0  0
 28 57  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 58  1  0  0  0  0
 33 59  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-11-06, 729👍, 0💬