Molecule FYI-1002043

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A

Molecule Summary:

ID: FYI-1002043
Names:
InChIKey: YTKGRNLQFINUJR-UHFFFAOYSA-N
SMILES: CCC(COC(C)=O)(COC(C)=O)COC(C)=O

Received at FYIcenter.com on: 2023-01-22

Molecule ID: FYI-1002043 Edit

Molecule Structure InChIKey: YTKGRNLQFINUJR-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(COC(C)=O)(COC(C)=O)COC(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002043
FYIcenter.com

 18 17  0  0  0  0  0  0  0  0999 V2000
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    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  2  0  0  0  0
  8  6  1  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14  3  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002043-3D
FYIcenter.com

 38 37  0     0  0  0  0  0  0999 V2000
    2.4473    0.6116    0.1706 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0084   -1.7613   -0.1771 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4575    0.6186    0.1830 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6962    1.1405   -1.6997 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0060   -3.5050    1.3381 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6953    1.1573   -1.6917 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0037    0.6377    0.3514 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0239    1.5697    1.6001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2462    0.8697   -0.5447 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0069   -0.8202    0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2518    0.8707   -0.5269 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0322    3.0655    1.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6077    0.7873   -0.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0071   -3.0779    0.1916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6138    0.8020   -0.5237 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7849    0.4816    0.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0247   -3.9485   -1.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7963    0.5008    0.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8495    1.3534    2.2290 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9028    1.3398    2.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2615    1.8983   -0.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2087    0.2016   -1.4150 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8989   -0.9953    1.5042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8733   -0.9891    1.5228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2202    0.2065   -1.4005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2650    1.9000   -0.9050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8560    3.3758    0.7523 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375    3.6234    2.2516 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9220    3.3657    0.7491 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7376   -0.5578    0.6784 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7077    0.6230   -0.2256 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7958    1.1612    1.2000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8666   -3.7584   -1.6314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0224   -4.9992   -0.7242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9308   -3.7553   -1.6077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8061    1.1772    1.2047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7160    0.6508   -0.2264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7572   -0.5402    0.6765 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 13  1  0  0  0  0
  2 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3 11  1  0  0  0  0
  3 15  1  0  0  0  0
  4 13  2  0  0  0  0
  5 14  2  0  0  0  0
  6 15  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 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 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
M  END
$$$$

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2023-01-22, 1773👍, 0💬