Molecule FYI-1012692

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A

Molecule Summary:

ID: FYI-1012692
Names:
InChIKey: HUNUYFXXQQHSIT-UHFFFAOYSA-N
SMILES: CCOC(=O)CCCCC(=O)CCCCO

Received at FYIcenter.com on: 2024-10-11

Molecule ID: FYI-1012692 Edit

Molecule Structure InChIKey: HUNUYFXXQQHSIT-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)CCCCC(=O)CCCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1012692
FYIcenter.com

 16 15  0  0  0  0  0  0  0  0999 V2000
   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 O   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
   12.1244    0.0000    0.0000 O   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
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   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
    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  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
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  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-1012692-3D
FYIcenter.com

 38 37  0  0  0  0  0  0  0  0999 V2000
    2.5472    1.3625    1.6904 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5379    0.3818    0.5301 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0218   -0.8789    1.0201 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3789   -0.9773    1.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1327   -0.2975    0.3192 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8429   -1.9357    2.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3720   -1.9692    2.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8828   -2.9289    3.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4046   -2.9691    3.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8847   -3.9445    4.2999 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2414   -4.1560    5.3361 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2177   -4.6188    4.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3375   -3.6003    3.9327 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4969   -2.7316    5.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6202   -1.7238    5.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8503   -2.3966    4.7656 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1822    2.3418    1.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5602    1.4755    2.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9220    0.9928    2.5111 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1458    0.7616   -0.2981 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5180    0.2509    0.1577 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4424   -2.9287    1.8647 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4486   -1.5916    3.0486 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7598   -0.9610    2.3366 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7627   -2.2676    1.1563 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5007   -3.9379    3.0075 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4972   -2.6260    4.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8194   -1.9788    3.4707 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8023   -3.2891    2.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1377   -5.2273    3.1664 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4179   -5.3005    4.9077 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1467   -2.9537    3.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2763   -4.1308    3.7241 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7094   -3.3744    6.0470 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5645   -2.1956    5.4005 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7320   -1.0965    5.8917 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4191   -1.0716    4.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0260   -2.9586    5.5402 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
M  END
$$$$

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2024-11-23, 199👍, 0💬