Molecule FYI-1015398

A

Molecule Summary:

ID: FYI-1015398
Names:
InChIKey: RTDRYYULUYRTAN-UHFFFAOYSA-N
SMILES: COc5cc4cc1COC(=O)c1c(c3ccc2OCOc2c3)c4cc5OC

Received at FYIcenter.com on: 2025-08-28

Molecule ID: FYI-1015398 Edit

Molecule Structure InChIKey: RTDRYYULUYRTAN-UHFFFAOYSA-N

Molecule Structure SMILES String: COc5cc4cc1COC(=O)c1c(c3ccc2OCOc2c3)c4cc5OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1015398
FYIcenter.com

 27 31  0  0  0  0  0  0  0  0999 V2000
    9.4290    7.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2165    8.5158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    7.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    8.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    7.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    8.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1543    7.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    8.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    5.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3902    4.6517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1543    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1543    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1543    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6579    0.1463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0502    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6196    1.2789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2165    5.7157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    6.4157    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  3  2  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
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 17  1  0  0  0  0
 22 21  2  0  0  0  0
 22 14  1  0  0  0  0
 23 13  1  0  0  0  0
 23  5  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25  3  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015398-3D
FYIcenter.com

 43 47  0     0  0  0  0  0  0999 V2000
    1.1352    4.2798   -0.1527 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8940   -1.8943   -1.5781 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6690   -2.3854    0.6502 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8002   -2.9924    0.1655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9820   -1.3157   -0.1900 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6637    2.5829    0.1469 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1660    0.8120    0.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3036    2.1829   -0.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1276    0.2699    0.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7698    3.0266   -0.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2488    1.1317   -0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3422   -0.0213    0.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0550    2.5212   -0.2798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3003    4.4209   -0.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5226    2.9752    0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3380   -1.1133    0.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5349    0.5740   -0.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0084   -0.5270   -0.8473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6260   -1.6452    0.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7896   -0.3046    1.5674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208   -0.8044   -0.1223 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1194   -1.3135   -0.6218 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5619   -1.5940    0.6508 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9177   -1.1037    1.7679 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8741   -2.5713   -0.7651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7673   -3.7497   -1.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6969   -1.4413    1.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8960    3.1950   -0.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5118    4.8753   -1.2683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6751    5.0423    0.5207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5161   -1.8111    0.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4027    1.2163   -0.3737 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6747   -0.3172   -1.8584 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2658    0.0928    2.4340 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2693   -1.3272    2.7687 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8691   -2.1942   -1.0280 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8341   -3.6438   -0.9876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5628   -3.4273   -1.7215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9270   -4.8019   -0.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7927   -3.6503   -1.5307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8372   -0.4600    1.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1688   -2.1101    1.7247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6794   -1.8689    0.8197 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 22  1  0  0  0  0
  2 25  1  0  0  0  0
  3 23  1  0  0  0  0
  3 25  1  0  0  0  0
  4 19  1  0  0  0  0
  4 26  1  0  0  0  0
  5 21  1  0  0  0  0
  5 27  1  0  0  0  0
  6 15  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  8 10  2  0  0  0  0
  8 15  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 12 20  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 16 19  2  0  0  0  0
 16 31  1  0  0  0  0
 17 21  2  0  0  0  0
 17 32  1  0  0  0  0
 18 22  1  0  0  0  0
 18 33  1  0  0  0  0
 19 21  1  0  0  0  0
 20 24  2  0  0  0  0
 20 34  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 35  1  0  0  0  0
 25 36  1  0  0  0  0
 25 37  1  0  0  0  0
 26 38  1  0  0  0  0
 26 39  1  0  0  0  0
 26 40  1  0  0  0  0
 27 41  1  0  0  0  0
 27 42  1  0  0  0  0
 27 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-11-06, 661👍, 0💬