Molecule FYI-1001183

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A

Molecule Summary:

ID: FYI-1001183
SMILES: [H]Oc3ccc(CCCCOC(=O)C(Br)(c1ccccc1)c2ccccc2)cc3

Received at FYIcenter.com on: 2022-02-22

Molecule ID: FYI-1001183 Edit

Molecule Structure SMILES String: [H]Oc3ccc(CCCCOC(=O)C(Br)(c1ccccc1)c2ccccc2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1001183
FYIcenter.com

 28 30  0  0  0  0  0  0  0  0999 V2000
    2.4708    0.7133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4708    2.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8190    2.5148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9417    2.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1771    2.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4125    2.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6480    2.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8833    2.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8833    0.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1188    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3542    0.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5896    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3542    2.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1188    2.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2355    2.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1399    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4708    3.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5758    4.8299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7063    5.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9417    4.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9417    3.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499    3.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2355    4.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2355    7.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4708    6.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3447    5.2973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 14  8  1  0  0  0  0
 15  2  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 15  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001183-3D
FYIcenter.com

 51 53  0  0  0  0  0  0  0  0999 V2000
   -1.0723    1.0086    1.7992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5386    1.7503    1.3836 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8219    2.8909    1.5897 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3772    2.8803    2.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0763    4.0772    2.4915 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5749    5.2893    1.9918 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3075    6.5960    2.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2894    6.9073    1.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0170    8.2398    1.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9727    8.4923    0.1105 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6514    9.7555    0.2417 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9240   10.8300   -0.2172 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7671   10.7171   -0.5911 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7620   12.1435   -0.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4373   13.5597   -0.9315 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.1553   12.6027    1.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4955   12.7610    1.5813 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8278   13.2637    2.8482 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8330   13.5739    3.7665 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5011   13.3678    3.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1690   12.8824    2.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8615   12.1567   -1.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1002   11.0563   -2.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1594   11.0540   -3.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9996   12.1571   -3.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7397   13.2882   -2.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6700   13.2976   -1.5532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6311    5.2721    1.2757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3278    4.0792    1.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7797    1.9580    2.6978 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0109    4.0561    3.0479 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8318    6.5661    3.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5682    7.4055    2.2895 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7523    6.9352    0.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0310    6.1021    0.9998 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5809    8.2444    2.2177 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2935    9.0600    1.3582 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4445    8.4375   -0.8514 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7366    7.7057    0.0797 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3183   12.5175    0.9135 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8715   13.4204    3.1111 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0927   13.9714    4.7458 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7178   13.5976    4.1445 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1096   12.7515    1.9311 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4750   10.1676   -2.1728 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3329   10.1827   -3.7417 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8416   12.1399   -3.9062 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3750   14.1650   -2.5540 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4854   14.2126   -0.9906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0419    6.1963    0.8742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2679    4.0792    0.5323 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  2  0  0  0  0
  4  5  2  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  2  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 11  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 22  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  2  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  2  0  0  0  0
 23 24  2  0  0  0  0
 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
 24 46  1  0  0  0  0
 25 26  2  0  0  0  0
 25 47  1  0  0  0  0
 26 27  1  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 29  1  0  0  0  0
 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-21, 488👍, 0💬