Molecule FYI-1005628

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A

Molecule Summary:

ID: FYI-1005628
Names:
InChIKey: JQMIBWNAUFNDDE-UHFFFAOYSA-N
SMILES: O=C(O)C2CCCC3C1CCCCCC1CCC23

Received at FYIcenter.com on: 2023-11-08

Molecule ID: FYI-1005628 Edit

Molecule Structure InChIKey: JQMIBWNAUFNDDE-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)C2CCCC3C1CCCCCC1CCC23

Download SDF Download SVG Structure in 2D SDF:

FYI-1005628
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7332    3.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0588    3.9815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2744    2.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4598    2.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6450    2.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8302    2.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8302    0.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0156    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6450    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0156    2.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0156    4.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8302    4.7902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6450    4.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6753    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6181    6.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4052    6.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8724    5.8513    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
  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  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14  6  1  0  0  0  0
 15 14  1  0  0  0  0
 15  3  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 18  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005628-3D
FYIcenter.com

 44 46  0  0  1  0  0  0  0  0999 V2000
    1.3300   -0.7787   -0.2996 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3271   -0.0952   -0.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8664    0.1133   -1.6831 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1028    0.6164    0.6491 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4664   -0.0483    0.8661 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3366   -1.3871    1.5854 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5865   -1.2579    2.9110 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1943   -0.6023    2.7523 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4715   -0.4397    4.1401 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0030   -1.8299    4.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2146   -1.8290    5.9603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2939   -1.6602    5.7795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7327   -0.2892    5.2903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0767    0.1417    3.9789 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3590    0.6557    4.2040 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6216    1.8702    3.3007 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0272    1.4576    1.8997 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3661    0.7350    2.0008 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6612    0.6780   -1.6826 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2688    1.6423    0.2862 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0956    0.6210    1.4683 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9916   -0.1947   -0.0839 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3378   -1.7929    1.7711 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8188   -2.1060    0.9401 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1954   -0.6608    3.6027 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4994   -2.2569    3.3534 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5781   -1.2708    2.1379 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2448   -0.0968    4.8441 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8907   -2.4513    4.8151 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4247   -2.3450    3.8711 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6101   -1.0823    6.6557 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3632   -2.8073    6.4372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7839   -1.8491    6.7433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6723   -2.4252    5.0904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5471    0.4593    6.0728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8206   -0.3057    5.1499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7002    0.9493    3.5755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1078   -0.6610    3.2335 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3948    1.0617    5.2257 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4186    2.4803    3.7452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2564    2.5243    3.2557 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1196    2.3514    1.2683 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2573    0.8216    1.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0207    1.3648    2.6255 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 44  1  0  0  0  0
M  END
$$$$

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2023-11-13, 1754👍, 0💬