Molecule FYI-1012231

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A

Molecule Summary:

ID: FYI-1012231
Names:
InChIKey: OCAIYHCKLADPEG-UHFFFAOYSA-N
SMILES: CCCCC(=O)OC(C)C

Received at FYIcenter.com on: 2024-08-18

Molecule ID: FYI-1012231 Edit

Molecule Structure InChIKey: OCAIYHCKLADPEG-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCC(=O)OC(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1012231
FYIcenter.com

 10  9  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.0000    0.0000 O   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
    6.0621    2.1000    0.0000 O   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
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    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
    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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012231-3D
FYIcenter.com

 26 25  0     0  0  0  0  0  0999 V2000
    1.4446    0.5895    0.3803 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3048   -1.3806    0.7580 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1612   -0.1976    0.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8738    0.6247    0.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3740    0.6594   -0.2929 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6642   -0.0879    0.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3311   -0.1998    0.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6618   -0.1466   -0.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5169   -0.7744   -1.2885 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8093    0.9133    0.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0761   -1.0354   -0.6362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3029   -0.6360    1.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9569    1.4603    0.7514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7051    1.0211   -0.9601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2508    1.0741   -1.3001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4514    1.5058    0.3995 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8662   -0.8356    0.8379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6305   -0.9850   -0.9401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8313   -0.5466    0.7678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5161    0.4852   -0.4995 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4700   -1.2053   -1.6127 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7854   -1.5875   -1.2671 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1807   -0.0650   -2.0531 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7652    0.4284   -0.1542 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8819    1.4045    1.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6386    1.7049   -0.6726 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  8  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 17  1  0  0  0  0
  8 18  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
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
M  END
$$$$

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2024-09-12, 1374👍, 0💬