Molecule FYI-1013203

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A

Molecule Summary:

ID: FYI-1013203
Names:
InChIKey: PBOSTUDLECTMNL-UHFFFAOYSA-N
SMILES: C=CC(=O)OCCCCCCCCCCCC

Received at FYIcenter.com on: 2024-11-22

Molecule ID: FYI-1013203 Edit

Molecule Structure InChIKey: PBOSTUDLECTMNL-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC(=O)OCCCCCCCCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1013203
FYIcenter.com

 17 16  0  0  0  0  0  0  0  0999 V2000
   18.1866    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   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
 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  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013203-3D
FYIcenter.com

 45 44  0     0  0  0  0  0  0999 V2000
    5.2599   -0.4258   -0.0180 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6688    1.4056    0.0138 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2361   -0.4507    0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5314    0.3684    0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9728    0.4135    0.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8339   -0.4362    0.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3217   -0.4060    0.0251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0916    0.4335    0.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5857    0.4572    0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3912   -0.3779    0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8481   -0.4108   -0.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6491    0.4862   -0.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1225    0.4246   -0.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9103   -0.3621   -0.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4726    0.2008   -0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5243   -0.8368   -0.0251 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8129   -0.4835   -0.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2221   -1.1040   -0.8636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2323   -1.1052    0.8973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5484    0.9828   -0.8988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5091    1.0689    0.8551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9821    1.0764   -0.8428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9856    1.0585    0.9183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8498   -1.1589   -0.7389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8454   -1.0174    1.0161 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3248   -1.0610   -0.8551 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3362   -1.0595    0.9062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0505    1.0520   -0.8895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1023    1.1221    0.8694 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6002    1.0957    0.9057 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5720    1.1193   -0.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3699   -1.0786   -0.8415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4377   -0.9848    0.9155 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8576   -1.0962    0.8372 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8446   -1.0487   -0.9124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6626    1.2152    0.7236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6393    1.0513   -1.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1469    1.0777   -0.8853 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1465    1.0466    0.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9638   -0.9121    0.9175 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7983    0.2734   -0.1013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9406   -1.0852   -0.8488 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2353   -1.8816   -0.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5846   -1.2459   -0.0338 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1334    0.5524   -0.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 15  1  0  0  0  0
  2 15  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 12  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 13  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 14  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 43  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
M  END
$$$$

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2024-12-18, 731👍, 0💬