Molecule FYI-1012937

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A

Molecule Summary:

ID: FYI-1012937
Names:
InChIKey: GXQMIWVQXJAUKN-UHFFFAOYSA-N
SMILES: CCCCOC(=O)CCN(CCO)CCO

Received at FYIcenter.com on: 2024-10-29

Molecule ID: FYI-1012937 Edit

Molecule Structure InChIKey: GXQMIWVQXJAUKN-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCOC(=O)CCN(CCO)CCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1012937
FYIcenter.com

 16 15  0  0  0  0  0  0  0  0999 V2000
   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 O   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
    7.2747    0.0000    0.0000 O   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 N   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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 O   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  6  1  0  0  0  0
  9  8  1  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
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012937-3D
FYIcenter.com

 39 38  0     0  0  0  0  0  0999 V2000
    2.2965   -0.0527   -0.1347 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7847   -3.5272    0.1161 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8707    2.6915   -0.5895 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2552    1.4144    1.3095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4949   -0.0769   -0.0532 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2991    0.5163    0.5325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7278   -1.4149    0.4937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6614    0.7765    0.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0462   -0.0756   -0.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5992   -2.2342   -0.4448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7167    1.9008   -0.8422 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2161    0.5364    0.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6621   -0.3296   -0.4516 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5741    0.4233    0.3008 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0566    0.1183   -0.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1400   -0.6663   -0.7457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2674    1.5989    0.3599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2795    0.3882    1.6235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1759   -1.3719    1.4962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7985   -1.9792    0.6299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6747    1.1808    1.2014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6040    0.2237    0.0889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0557    0.1134   -1.1862 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0238   -1.1547    0.0612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5891   -1.7954   -0.5949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1168   -2.3506   -1.4214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8449    2.5586   -0.7876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7908    1.5005   -1.8592 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5291   -0.1808   -1.5305 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5399   -1.4066   -0.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6740    0.2525    1.3791 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6490    1.4978    0.0962 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1765   -0.0185    1.0577 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1847    1.1869   -0.2314 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0680   -0.5279   -1.8292 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1304   -0.3283   -0.4251 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0599   -1.7365   -0.5297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3310   -4.0340   -0.5086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8886    3.3937   -1.2620 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 14  1  0  0  0  0
  2 10  1  0  0  0  0
  2 38  1  0  0  0  0
  3 11  1  0  0  0  0
  3 39  1  0  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 10  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 11  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 12  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
M  END
$$$$

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2024-11-05, 1154👍, 0💬