Molecule FYI-1016729

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A

Molecule Summary:

ID: FYI-1016729
Names:
InChIKey: CXMXRPHRNRROMY-UHFFFAOYSA-N
SMILES: O=C(O)CCCCCCCCC(=O)O

Received at FYIcenter.com on: 2026-03-03

Molecule ID: FYI-1016729 Edit

Molecule Structure InChIKey: CXMXRPHRNRROMY-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1016729
FYIcenter.com

 14 13  0  0  0  0  0  0  0  0999 V2000
    1.2522    1.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4646    0.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6320    1.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8849    1.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0523    1.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3053    1.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4726    2.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7256    1.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3395    3.0420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9408    2.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1505    1.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9145    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4376    1.9307    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
  7  8  1  0  0  0  0
  1  9  2  0  0  0  0
  1 10  1  0  0  0  0
  8 11  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016729-3D
FYIcenter.com

 32 31  0     0  0  0  0  0  0999 V2000
    6.8132    0.7589    0.1498 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8192   -0.7323   -0.0241 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8309   -1.2953    0.1001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8571    1.3211    0.0856 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6810   -0.4161   -0.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6604    0.3258   -0.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8900    0.5214   -0.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9075   -0.5593   -0.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2335   -0.2148   -0.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2146    0.2375    0.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4601    0.6932   -0.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4479   -0.6672    0.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7482   -0.0758    0.0693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7501    0.1031    0.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7119   -1.0923   -0.9824 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7459   -1.0438    0.7777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6639    1.0264    0.7369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7327    0.9370   -1.0164 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8521    1.1202   -1.0836 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8298    1.2247    0.6742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8281   -1.1955    0.8815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9337   -1.2300   -0.8761 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3122   -0.8899   -0.9607 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2377   -0.8578    0.7911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2155    0.8676    0.9573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2684    0.9187   -0.7991 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5053    1.2901   -0.9749 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3832    1.3694    0.8012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4365   -1.2999    0.9594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4320   -1.3096   -0.8228 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6581    0.2677    0.2346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6673   -0.2395   -0.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 31  1  0  0  0  0
  2 14  1  0  0  0  0
  2 32  1  0  0  0  0
  3 13  2  0  0  0  0
  4 14  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  9  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 10  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 12  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 13  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 14  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
M  END
$$$$

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