Molecule FYI-1005873

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Molecule Summary:

ID: FYI-1005873
Names:
InChIKey: BATDEVCTYREDAX-UHFFFAOYSA-N
SMILES: O=C(O)CCCCC(=O)OCCOCCO

Received at FYIcenter.com on: 2023-11-17

Molecule ID: FYI-1005873 Edit

Molecule Structure InChIKey: BATDEVCTYREDAX-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)CCCCC(=O)OCCOCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1005873
FYIcenter.com

 16 15  0  0  0  0  0  0  0  0999 V2000
   15.7616    2.1000    0.0000 O   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
   14.5492    0.0000    0.0000 O   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
    8.4871    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    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 O   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
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005873-3D
FYIcenter.com

 34 33  0     0  0  0  0  0  0999 V2000
   -0.1040   -1.9373    0.3527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3602   -0.4197   -0.2551 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4745   -3.2172   -0.7386 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5156    3.6986    0.1784 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3096    1.9863   -0.6977 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4014    2.1617    0.8233 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1304   -0.2258    0.9748 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6348    0.2456   -0.3953 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1119   -1.7500    1.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7275    1.7692   -0.4886 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1570   -2.4103    0.1245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1211   -2.4518   -0.5129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4530   -1.8340   -0.1333 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3861    2.4563   -0.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5841    0.2139    0.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4235    1.7146   -0.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1288    0.1735    1.1694 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7871    0.1747    1.7567 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6284   -0.1787   -0.5831 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9718   -0.1264   -1.1853 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1148   -2.1540    0.9135 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8257   -2.0510    2.1085 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3938    2.1364    0.3006 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1541    2.0590   -1.4549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8689   -2.1810   -1.5448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1720   -3.5419   -0.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2429   -2.2158   -0.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6918   -2.0842    0.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8305   -0.0302    1.1294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3860   -0.1410   -0.5670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3553    2.2319    0.1870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1201    1.9709   -1.0792 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6501    4.1533    0.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3171    3.1223    0.6984 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 15  1  0  0  0  0
  3 11  2  0  0  0  0
  4 14  1  0  0  0  0
  4 33  1  0  0  0  0
  5 14  2  0  0  0  0
  6 16  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 11  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 14  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-25, 2513👍, 0💬