Molecule FYI-1017387

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Molecule FYI-1017387

A

Molecule Summary:

ID: FYI-1017387
Names:
InChIKey: ZWKKRUNHAVNSFW-UHFFFAOYSA-N
SMILES: COC(=O)CCC(C)C(=O)OC

Received at FYIcenter.com on: 2026-07-01

Molecule ID: FYI-1017387 Edit

Molecule Structure InChIKey: ZWKKRUNHAVNSFW-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)CCC(C)C(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1017387
FYIcenter.com

 12 11  0  0  0  0  0  0  0  0999 V2000
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   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  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1017387-3D
FYIcenter.com

 26 25  0     1  0  0  0  0  0999 V2000
   -2.2311   -0.6849   -0.8864 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1038   -0.7302    0.5608 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4100   -0.9243    1.3996 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6155    0.8292   -1.0680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4372    1.0897    0.4815 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0344    1.1119   -0.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9247    0.1305    0.5356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3533    2.1190   -0.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0782   -0.2851    0.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2940    0.1453   -0.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8357   -1.9689   -1.0693 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4420   -0.8322    0.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3509    1.3454    1.5457 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3783    2.1267   -0.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0947    0.8775   -1.2135 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5392   -0.8921    0.4624 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0367    0.3970    1.5925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3610    2.0740    0.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4441    1.9490   -1.2554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9669    3.1326   -0.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8466   -1.9747   -0.6508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2204   -2.7463   -0.6064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8994   -2.1648   -2.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9790   -1.5586    0.6794 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9487    0.1347    0.1389 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4354   -1.1861   -0.9716 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 10  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-07-13, 547👍, 0💬