Molecule FYI-1013518

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A

Molecule Summary:

ID: FYI-1013518
Names:
InChIKey: VACHUYIREGFMSP-UHFFFAOYSA-N
SMILES: CCCCCCCCC(O)C(O)CCCCCCCC(=O)O

Received at FYIcenter.com on: 2024-12-23

Molecule ID: FYI-1013518 Edit

Molecule Structure InChIKey: VACHUYIREGFMSP-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCC(O)C(O)CCCCCCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013518
FYIcenter.com

 22 21  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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   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
   10.9119    3.5000    0.0000 O   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
  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  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
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 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 10  1  0  0  0  0
 22  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013518-3D
FYIcenter.com

 58 57  0  0  1  0  0  0  0  0999 V2000
    0.9892    0.0207    0.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5070    0.0174    0.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0383   -1.3582   -0.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5610   -1.3690   -0.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0682   -2.7512   -0.6288 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5852   -2.7755   -0.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0813   -4.1578   -1.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6031   -4.1610   -1.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1627   -5.5238   -1.5207 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.7403   -5.8018   -2.8594 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7061   -5.5675   -1.4590 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.2388   -4.6196   -2.3968 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2906   -5.2880   -0.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7809   -6.2701    0.9857 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3013   -5.9395    2.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7789   -6.9626    3.3869 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2751   -6.6623    4.7978 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7581   -7.7132    5.7783 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2446   -7.4417    7.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7279   -8.4830    8.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0088   -9.4255    7.8724 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1544   -8.2652    9.4269 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6739   -3.0285   -1.6149 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7024   -3.4971    0.0876 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9859   -2.5086    0.3258 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6702   -4.4265   -2.0455 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7288   -4.9082   -0.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9714   -3.8713   -0.1203 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9297   -3.3934   -1.8217 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3277   -5.2828   -3.4414 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7246   -7.4788    9.5205 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
  9 10  1  0  0  0  0
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  9 40  1  0  0  0  0
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 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 58  1  0  0  0  0
M  END
$$$$

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