Molecule FYI-1014508

A

Molecule Summary:

ID: FYI-1014508
Names:
InChIKey: NXNQODZSILLNEG-IAGOWNOFSA-N
SMILES: OC[C@@H](O)COc2ccc(Cc1ccc(OC[C@H](O)CCl)cc1)cc2

Received at FYIcenter.com on: 2025-04-23

Molecule ID: FYI-1014508 Edit

Molecule Structure InChIKey: NXNQODZSILLNEG-IAGOWNOFSA-N

Molecule Structure SMILES String: OC[C@@H](O)COc2ccc(Cc1ccc(OC[C@H](O)CCl)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014508
FYIcenter.com

 25 26  0  0  1  0  0  0  0  0999 V2000
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243   14.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 10 13  1  6  0  0  0
 14  1  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  2  0  0  0  0
 19 14  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 22 25  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014508-3D
FYIcenter.com

 48 49  0  0  1  0  0  0  0  0999 V2000
   18.2936   14.0290   -4.3814 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5387   14.4259   -3.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0232   13.6999   -1.9861 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.2833   14.1687   -0.8523 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8992   12.1747   -2.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5193   11.8193   -2.2739 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2560   10.4839   -2.4284 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2078    9.4647   -2.4658 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8106    8.1333   -2.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4584    7.7943   -2.7279 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0406    6.3440   -2.8256 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7270    5.7075   -1.4886 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4457    5.2077   -1.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1513    4.6233    0.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1403    4.5193    0.9965 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9732    3.9784    2.2397 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9501    2.9827    2.3603 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3344    2.0542    3.5216 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3450    2.8123    4.7436 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7061    1.3927    3.3506 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7969    0.3653    1.9024 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.4144    5.0210    0.7396 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7110    5.5976   -0.4958 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5046    8.8188   -2.6973 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9038   10.1530   -2.5550 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9184   14.5004   -5.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4770   14.2291   -3.4282 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6486   15.5081   -3.1123 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0784   13.9427   -1.8169 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4114   13.7340   -0.8958 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2632   11.7228   -1.1702 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4957   11.8231   -2.9513 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2684    9.6646   -2.3680 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5751    7.3573   -2.6393 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8291    5.7585   -3.3181 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1724    6.2714   -3.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6612    5.2736   -1.9690 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1402    4.2714    0.1973 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8335    2.3966    1.4417 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0077    3.4932    2.5904 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5639    1.2840    3.6361 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8381    3.6351    4.5568 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9273    0.7619    4.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5073    2.1375    3.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1871    4.9561    1.5011 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7178    5.9683   -0.6689 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4444    8.5867   -2.7707 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1511   10.9373   -2.5339 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 29  1  1  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  2  0  0  0  0
  8  9  2  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  2  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  2  0  0  0  0
 13 14  2  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  2  0  0  0  0
 16 17  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 20  1  0  0  0  0
 18 19  1  0  0  0  0
 18 17  1  0  0  0  0
 18 41  1  1  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 22 23  1  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 25  1  0  0  0  0
 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-05-12, 861👍, 0💬