Molecule FYI-1013829

Home > Molecule

A

Molecule Summary:

ID: FYI-1013829
Names:
InChIKey: OZHDVERKQARFTH-XBLVEGMJSA-N
SMILES: CCCCC/C=C/C=C/CCCCCCCC(=O)OC

Received at FYIcenter.com on: 2025-01-30

Molecule ID: FYI-1013829 Edit

Molecule Structure InChIKey: OZHDVERKQARFTH-XBLVEGMJSA-N

Molecule Structure SMILES String: CCCCC/C=C/C=C/CCCCCCCC(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1013829
FYIcenter.com

 20 19  0  0  0  0  0  0  0  0999 V2000
   21.8239    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    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
    7.2747    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
    4.8497    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
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  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
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013829-3D
FYIcenter.com

 52 51  0  0  0  0  0  0  0  0999 V2000
    0.9193    4.0933    5.5286 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4373    4.1124    5.5376 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9956    3.7176    4.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5222    3.7355    4.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0818    3.3429    2.8207 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5811    3.3604    2.8211 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2869    4.1513    2.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7253    4.1741    1.9986 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4318    4.9651    1.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9307    4.9845    1.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4648    6.3722    1.5231 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9910    6.3785    1.5247 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5236    7.7657    1.8652 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0513    7.7788    1.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5685    9.1707    2.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0955    9.2406    2.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5426   10.6434    2.5676 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7947   11.5785    2.7985 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9060   10.7239    2.5855 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3831   12.0339    2.9071 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5298    4.3775    6.5104 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5444    3.0936    5.2872 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5260    4.7960    4.7870 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8055    3.4220    6.3054 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7872    5.1155    5.8079 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6230    4.4092    3.4073 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6392    2.7156    3.9039 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8906    3.0434    4.9524 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8748    4.7381    4.4579 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7016    4.0344    2.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7334    2.3387    2.5531 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0911    2.6989    3.5177 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7683    4.8092    1.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2431    3.5168    2.6944 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9225    5.6249    0.4825 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2977    4.6773    0.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3112    4.2603    1.9152 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0950    6.6847    2.5079 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0953    7.1032    0.7931 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3643    6.0713    0.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3644    5.6504    2.2552 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1487    8.0728    2.8496 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1464    8.4942    1.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4231    7.4739    0.8809 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4254    7.0518    2.5969 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1793    9.4724    3.1889 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1770    9.8928    1.4800 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4914    8.9732    1.2372 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4937    8.5466    2.9714 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4765   12.0150    2.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0489   12.3301    3.9068 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0465   12.7598    2.1597 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  2  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  2  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 13  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 14  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 15  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 16  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 17  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 50  1  0  0  0  0
 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-02-16, 1240👍, 0💬