Molecule FYI-1002484

A

Molecule Summary:

ID: FYI-1002484
Names:
InChIKey: OBWASQILIWPZMG-QZMOQZSNSA-N
SMILES: OC[C@H]4O[C@@H](c3ccc(Cl)c(Cc2ccc(O[C@H]1CCOC1)cc2)c3)[C@H](O)[C@@H](O)[C@@H]4O

Received at FYIcenter.com on: 2023-04-04

Molecule ID: FYI-1002484 Edit

Molecule Structure InChIKey: OBWASQILIWPZMG-QZMOQZSNSA-N

Molecule Structure SMILES String: OC[C@H]4O[C@@H](c3ccc(Cl)c(Cc2ccc(O[C@H]1CCOC1)cc2)c3)[C@H](O)[C@@H](O)[C@@H]4O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002484
FYIcenter.com

 31 34  0  0  1  0  0  0  0  0999 V2000
    9.6197    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8321    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8321    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6197    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6197    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4073    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1949    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9824    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6197    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1949    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9824    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4073    9.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4073    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4073    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4073    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4073    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1949    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1949    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9824    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7700    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5575    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3450    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3450    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    2.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8326    2.0457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652    3.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5575    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7700    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  6  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  1  0  0  0
  1  9  2  0  0  0  0
 10  7  1  0  0  0  0
 10 11  1  6  0  0  0
  9 15  1  0  0  0  0
 13 10  1  0  0  0  0
 13  4  1  0  0  0  0
 13 14  1  1  0  0  0
 12 15  1  0  0  0  0
  6 16  1  6  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  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  6  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 29 25  1  0  0  0  0
 30 23  1  0  0  0  0
 31 30  2  0  0  0  0
 31 20  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002484-3D
FYIcenter.com

 58 61  0     1  0  0  0  0  0999 V2000
   -0.7423    4.3515    0.8154 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2659    0.1767   -0.2707 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2059   -3.7588    0.3049 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0299   -1.6573    1.9892 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9106   -3.0912   -0.4326 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7026    0.9816   -1.2500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0788   -2.7764    0.4135 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1636   -0.7353   -0.7570 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -2.5168    0.6371 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7579   -1.4326    0.7820 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8203   -2.1743   -0.4750 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3944   -0.0357    0.8445 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3523   -0.7497   -0.3083 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3507    1.0641    0.8286 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2591   -0.3457   -1.4662 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4646    1.1671   -0.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2793    1.9703    1.8853 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5047    2.1790   -0.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6491   -0.8929    0.5717 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4273    2.2572   -1.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3193    2.9821    1.8709 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4319    3.0865    0.7997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0794   -0.4197    0.6585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7795   -2.3707    0.8773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8404   -1.6036    0.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6985    1.4541   -1.2446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0206   -0.0141   -0.9175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8030    2.0581   -0.6707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7260    0.1344   -1.6592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9737    1.3178   -0.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8968   -0.6057   -1.4942 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3554   -2.6793    1.5858 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0478   -1.5277   -0.0472 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3300   -2.2922   -1.4492 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9861    0.0592    1.7656 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9269   -0.6499    0.6227 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7236   -0.3674   -2.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1366   -0.9944   -1.5392 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5582   -3.9539    1.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6527   -1.5922    2.7332 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5283    0.4696   -1.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580   -2.9869    0.4244 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9633    1.9017    2.7269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9986   -0.4008    1.3045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6718    3.2956   -1.6798 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0902    1.9031   -2.3270 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2756    3.6814    2.7020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2860    0.4987    0.1021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3595   -0.2701    1.7077 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9147    1.5479   -1.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0212   -2.9867    0.3854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7510   -2.5567    1.9561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8467   -1.6927    0.5149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9215   -1.5426   -0.9947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8107    3.1011   -0.3822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8569   -0.3360   -2.1095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8473    1.7966   -0.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9275   -1.6430   -1.8164 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  9  1  0  0  0  0
  3 39  1  0  0  0  0
  4 10  1  0  0  0  0
  4 40  1  0  0  0  0
  5 11  1  0  0  0  0
  5 42  1  0  0  0  0
  6 15  1  0  0  0  0
  6 50  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 19  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  1  0  0  0  0
 10 33  1  0  0  0  0
 11 13  1  0  0  0  0
 11 34  1  0  0  0  0
 12 14  1  0  0  0  0
 12 35  1  0  0  0  0
 13 15  1  0  0  0  0
 13 36  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 18  1  0  0  0  0
 16 41  1  0  0  0  0
 17 21  2  0  0  0  0
 17 43  1  0  0  0  0
 18 20  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 44  1  0  0  0  0
 20 26  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 22  1  0  0  0  0
 21 47  1  0  0  0  0
 23 25  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 27 30  2  0  0  0  0
 27 31  1  0  0  0  0
 28 30  1  0  0  0  0
 28 55  1  0  0  0  0
 29 31  2  0  0  0  0
 29 56  1  0  0  0  0
 30 57  1  0  0  0  0
 31 58  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-26, 1749👍, 0💬