Molecule FYI-1000288

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A

Molecule Summary:

ID: FYI-1000288
SMILES: CC(C)(CC(c1ccccc1)c2ccccc2)Oc3ccc(C(=O)CCCCCl)cc3

Received at FYIcenter.com on: 2021-03-07

Molecule ID: FYI-1000288 Edit

Molecule Structure SMILES String: CC(C)(CC(c1ccccc1)c2ccccc2)Oc3ccc(C(=O)CCCCCl)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1000288
FYIcenter.com

  4  3  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000288-3D
FYIcenter.com

 62 64  0  0  0  0  0  0  0  0999 V2000
    1.0065   -0.1075    0.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5420   -0.1874    0.1457 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1080   -1.6166    0.3633 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0078    0.1447   -1.3118 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6425    1.4911   -1.9935 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3075    2.7152   -1.3789 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7050    2.8224   -1.3002 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3081    3.9910   -0.8336 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5231    5.0691   -0.4345 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1343    4.9742   -0.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5289    3.8045   -0.9546 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9257    1.4364   -3.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1547    2.2124   -4.3966 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3987    2.1885   -5.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4153    1.3912   -6.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2017    0.6306   -5.4336 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9636    0.6578   -4.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1517    0.7544    1.0482 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0277    0.6568    2.4087 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3224   -0.3177    3.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2775   -0.3154    4.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9212    0.6869    5.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7565    0.6657    6.7026 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6195   -0.4041    7.2873 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7081    1.9823    7.4550 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5685    2.8944    6.9984 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1823    2.2749    7.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9122    3.2277    6.7449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5180    2.5123    7.0085 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6381    1.6723    4.5404 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6897    1.6510    3.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5438   -0.8541   -0.4489 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6524    0.8850   -0.0898 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5946   -0.2522    1.2028 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6987   -2.3177   -0.3714 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9264   -2.0472    1.3438 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999   -1.6085    0.2546 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5996   -0.6505   -1.9559 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0991    0.0334   -1.3311 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5543    1.6056   -1.9068 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3392    2.0050   -1.6327 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3917    4.0627   -0.8030 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9948    5.9863   -0.0937 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5215    5.8178   -0.1817 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4438    3.7605   -1.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3617    2.8510   -4.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7953    2.7972   -6.4406 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6060    1.3730   -7.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0058    0.0158   -5.8306 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6125    0.0605   -3.4242 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7717   -1.1139    2.6355 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7149   -1.0927    5.0241 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6759    2.4842    7.3544 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5880    1.7531    8.5209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6863    3.1565    5.9411 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6325    3.8331    7.5614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0466    2.0382    8.2732 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1005    1.3323    6.6566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8169    3.4427    5.6760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8736    4.1724    7.2951 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1621    2.4615    5.0713 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2442    2.4238    2.6065 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 18  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  3 37  1  0  0  0  0
  4  5  1  0  0  0  0
  4 38  1  0  0  0  0
  4 39  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 40  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7 41  1  0  0  0  0
  8  9  1  0  0  0  0
  8 42  1  0  0  0  0
  9 10  2  0  0  0  0
  9 43  1  0  0  0  0
 10 11  1  0  0  0  0
 10 44  1  0  0  0  0
 11 45  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 46  1  0  0  0  0
 14 15  1  0  0  0  0
 14 47  1  0  0  0  0
 15 16  2  0  0  0  0
 15 48  1  0  0  0  0
 16 17  1  0  0  0  0
 16 49  1  0  0  0  0
 17 50  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  2  0  0  0  0
 20 21  2  0  0  0  0
 20 51  1  0  0  0  0
 21 22  1  0  0  0  0
 21 52  1  0  0  0  0
 22 23  1  0  0  0  0
 22 30  2  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 53  1  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
 26 56  1  0  0  0  0
 27 28  1  0  0  0  0
 27 57  1  0  0  0  0
 27 58  1  0  0  0  0
 28 29  1  0  0  0  0
 28 59  1  0  0  0  0
 28 60  1  0  0  0  0
 30 31  1  0  0  0  0
 30 61  1  0  0  0  0
 31 62  1  0  0  0  0
M  END
$$$$

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2022-05-31, 356👍, 0💬