Molecule FYI-1012938

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A

Molecule Summary:

ID: FYI-1012938
Names:
InChIKey: GRNLVJRMTLJKHY-UHFFFAOYSA-N
SMILES: CCCCOC(=O)CCNCCC(=O)OC

Received at FYIcenter.com on: 2024-10-29

Molecule ID: FYI-1012938 Edit

Molecule Structure InChIKey: GRNLVJRMTLJKHY-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCOC(=O)CCNCCC(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1012938
FYIcenter.com

 16 15  0  0  0  0  0  0  0  0999 V2000
   14.5493    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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  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
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012938-3D
FYIcenter.com

 37 36  0  0  0  0  0  0  0  0999 V2000
    2.3550    1.6452   -0.6125 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1106    1.7020    0.7044 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7017    0.3424    1.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4545    0.4556    2.4159 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9546   -0.8004    2.8925 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3165   -0.9009    2.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0230   -0.5216    1.9431 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8077   -1.4205    4.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3350   -1.4208    4.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8299   -1.8568    5.5832 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3041   -1.8550    5.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8851   -2.3068    6.9309 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3947   -2.2944    6.8712 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0539   -1.9694    5.8904 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9258   -2.7021    8.0554 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3570   -2.7165    8.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9477    2.6310   -0.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5220    0.9382   -0.5573 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0161    1.3390   -1.4302 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4263    2.0491    1.4908 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9091    2.4481    0.6261 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3772   -0.0176    0.3087 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9048   -0.4061    1.1811 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7665    0.8080    3.1920 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2555    1.2009    2.3421 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4092   -2.4272    4.3647 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4152   -0.7491    4.9766 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7033   -0.4083    4.0557 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7267   -2.0820    3.4800 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4946   -2.8014    5.7750 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668   -0.8396    5.3704 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6747   -2.5138    4.7968 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5565   -3.3296    7.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5613   -1.6350    7.7339 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6914   -3.0571    9.0557 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7543   -1.7097    7.9029 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7437   -3.4121    7.3181 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
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  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  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
M  END
$$$$

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2024-11-05, 1718👍, 0💬