Molecule FYI-1012936

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A

Molecule Summary:

ID: FYI-1012936
Names:
InChIKey: WSQYHGBUWHUXJB-UHFFFAOYSA-N
SMILES: CCCCOC(=O)CCNCCO

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

Molecule ID: FYI-1012936 Edit

Molecule Structure InChIKey: WSQYHGBUWHUXJB-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCOC(=O)CCNCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1012936
FYIcenter.com

 13 12  0  0  0  0  0  0  0  0999 V2000
    9.6994    0.8279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.5279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.5279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.9279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.8279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.5279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.5279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0550    1.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8117    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2101    0.0664    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  2  0  0  0  0
  6  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012936-3D
FYIcenter.com

 32 31  0     0  0  0  0  0  0999 V2000
    1.7316   -0.2744   -0.0188 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5585    1.7118    0.0018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6918   -0.0036    0.0402 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0527   -0.5471   -0.0251 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1197   -0.5391   -0.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9141    0.3622    0.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6066   -0.4234   -0.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4708    0.1698    0.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9646    0.4522   -0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3081    0.1905   -0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5990    0.4892   -0.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6208   -0.8240    0.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4915   -0.7642    0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0432   -1.1797   -0.9052 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0262   -1.2107    0.8450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9457    0.9781    0.9200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9491    1.0429   -0.8475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5609   -1.0340   -0.9318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5426   -1.0811    0.8526 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5336    0.8199    0.8893 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5727    0.8100   -0.8751 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0088    1.0743    0.8933 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0131    1.0956   -0.8947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0113   -1.1826    0.7713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3849    0.8495   -0.8771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3676    0.8364    0.8820 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6059   -1.4714   -0.8397 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5787   -0.2949    0.0600 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5664   -1.4568    0.9346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5018   -1.3838   -0.9015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4691   -1.4174    0.8803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4303   -0.6362    0.0419 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 11  2  0  0  0  0
  3 13  1  0  0  0  0
  3 32  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 24  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 11  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 12  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 13  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
M  END
$$$$

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2024-11-05, 1493👍, 0💬