Molecule FYI-1008236

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A

Molecule Summary:

ID: FYI-1008236
Names:
InChIKey: FQXYQECHMPBQHP-UHFFFAOYSA-N
SMILES: CC(C)(C)CCC(C)(C)C(=O)CC1(O)CCCCC1

Received at FYIcenter.com on: 2024-04-25

Molecule ID: FYI-1008236 Edit

Molecule Structure InChIKey: FQXYQECHMPBQHP-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)CCC(C)(C)C(=O)CC1(O)CCCCC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008236
FYIcenter.com

 19 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    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
    6.0621    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4764    2.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    1.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9010    2.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8801    3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6573    4.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4555    3.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5305    3.1501    0.0000 O   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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008236-3D
FYIcenter.com

 51 51  0  0  0  0  0  0  0  0999 V2000
    2.5764   -0.9512    0.6825 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1049   -1.1266    0.6819 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7537    0.0636    1.4087 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4449   -2.4115    1.4634 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6506   -1.2738   -0.7679 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958   -0.0635   -1.6862 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8893   -0.2233   -3.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0943   -1.3352   -3.8545 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6249    1.1016   -3.8921 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4189   -0.4458   -3.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1706    0.1940   -2.4312 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9850   -1.4809   -4.1417 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4715   -1.2976   -4.4957 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2520   -1.4179   -3.3041 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7888    0.0509   -5.1674 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1361    0.1913   -6.5407 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5199   -0.9604   -7.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2976   -2.3324   -6.8351 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9175   -2.4324   -5.4401 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1826   -0.9269    1.7048 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0854   -1.7776    0.1566 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2720   -0.0160    0.2021 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3801    0.1474    2.4358 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5385    1.0150    0.9130 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8422   -0.0515    1.4601 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0309   -2.3798    2.4778 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5289   -2.5460    1.5524 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0374   -3.2987    0.9662 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1982   -2.1682   -1.2159 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7286   -1.4670   -0.7199 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8741    0.8205   -1.2481 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3207    0.1492   -1.7144 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0149   -1.1829   -3.7415 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3407   -2.3258   -3.4605 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2924   -1.3562   -4.9319 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5526    1.3249   -3.9337 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0032    1.0653   -4.9196 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1205    1.9436   -3.3942 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3932   -1.4483   -5.0544 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8331   -2.4560   -3.6599 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9427   -0.7200   -2.6885 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8782    0.1477   -5.2767 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4960    0.8910   -4.5280 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4421    1.1405   -6.9955 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0463    0.2364   -6.4369 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5772   -0.8614   -7.7400 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9456   -0.8882   -8.3987 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7291   -3.1048   -7.4818 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2227   -2.5434   -6.7863 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0126   -2.4197   -5.5325 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6793   -3.4089   -4.9983 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 19  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 17  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 18  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 19  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 19 50  1  0  0  0  0
 19 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-07-11, 1163👍, 0💬