Molecule FYI-1007614

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A

Molecule Summary:

ID: FYI-1007614
Names:
InChIKey: LAGVKLOYBNEWPG-UHFFFAOYSA-N
SMILES: C=C(CCC(=O)OCCCC)C(=O)OCCCC

Received at FYIcenter.com on: 2024-03-05

Molecule ID: FYI-1007614 Edit

Molecule Structure InChIKey: LAGVKLOYBNEWPG-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1007614
FYIcenter.com

 18 17  0  0  0  0  0  0  0  0999 V2000
    9.6995    0.0000    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
   10.9119    2.1000    0.0000 C   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    1.4000    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
   14.5492    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
   16.9741    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
    6.0621    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   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 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  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  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007614-3D
FYIcenter.com

 42 41  0     0  0  0  0  0  0999 V2000
   -1.7146   -1.4903   -0.3696 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7771    1.4276    0.2797 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5585   -0.9878    0.9227 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2972    2.2073   -1.5986 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2065   -3.3375   -0.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0899    0.8025    0.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0177   -2.4273   -0.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4487   -2.6325    0.4508 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4302    0.6835   -0.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8486    1.7548   -0.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9522    0.4038   -0.9787 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9998    1.3256   -0.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5230    1.9273    0.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8092   -0.7532   -0.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2648   -3.1487   -0.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5256    0.2019    0.6846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2971    1.8847   -0.4177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4495    2.1582    1.7520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3798   -3.6519   -1.1115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0240   -4.2397    0.5197 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7909   -0.1673    0.8799 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1826    1.4754    1.3284 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1829   -2.0731    0.9896 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8540   -1.5457   -0.6631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2946   -2.3121    1.4878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3039   -3.3165    0.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7177    1.6559   -0.6697 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3405   -0.0155   -1.0929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6760    1.8487    0.4473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9799    2.5607   -0.9999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2090    0.3207   -1.7801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9310    0.3067   -1.4627 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2734    2.3167   -0.8386 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8593    0.6420   -1.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4831   -4.0196    0.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435   -3.4893   -1.5532 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1297   -2.4792   -0.4828 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6628    0.8979    1.5182 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2839   -0.7837    1.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4762    0.1225    0.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3456    2.2057    2.3626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5045    2.3131    2.2616 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 14  1  0  0  0  0
  2 12  1  0  0  0  0
  2 17  1  0  0  0  0
  3 14  2  0  0  0  0
  4 17  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 15  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 16  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 14  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 35  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
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-17, 161👍, 0💬