Molecule FYI-1002355

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A

Molecule Summary:

ID: FYI-1002355
Names:
InChIKey: HQPMQILTFDANFP-UHFFFAOYSA-N
SMILES: O=C(OCCN1CCCCC1)c2ccccc2

Received at FYIcenter.com on: 2023-03-04

Molecule ID: FYI-1002355 Edit

Molecule Structure InChIKey: HQPMQILTFDANFP-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(OCCN1CCCCC1)c2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1002355
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    8.4871    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    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
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    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
  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  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  6  1  0  0  0  0
 12  2  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
 17 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002355-3D
FYIcenter.com

 36 37  0     0  0  0  0  0  0999 V2000
   -0.6307   -0.0658   -0.1282 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4652    1.9724   -0.7980 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0438   -0.3273   -0.2573 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3955    0.8129    0.6005 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9618   -1.4551   -0.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8229    1.2893    0.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4077   -1.0529   -0.3394 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8275    0.1544    0.4913 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6613   -0.7406   -0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6977    0.3845   -0.3595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6205    0.8323   -0.3891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9538    0.2428   -0.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9776    1.0736    0.2999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1279   -1.1174   -0.2616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2302    0.5199    0.5646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3806   -1.6708    0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4318   -0.8522    0.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875    0.5556    1.6623 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7661    1.6846    0.4045 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6958   -2.2823   -0.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8870   -1.8311    0.9842 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0779    2.1083    1.0095 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8887    1.6902   -0.6925 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5134   -0.8173   -1.4060 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0764   -1.8956   -0.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8263    0.4893    0.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8873   -0.1315    1.5485 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5061   -1.0633    1.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4105   -1.6069   -0.6436 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8065    0.6756   -1.4114 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8415    1.2619    0.2762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8321    2.1428    0.4223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3299   -1.7742   -0.5946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0486    1.1572    0.8868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5388   -2.7388   -0.1155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4073   -1.2831    0.6215 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 11  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  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
 13 15  1  0  0  0  0
 13 32  1  0  0  0  0
 14 16  2  0  0  0  0
 14 33  1  0  0  0  0
 15 17  2  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
M  END
$$$$

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2023-04-04, 491👍, 0💬