Molecule FYI-1007922

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A

Molecule Summary:

ID: FYI-1007922
Names:
InChIKey: KDGNCLDCOVTOCS-UHFFFAOYSA-N
SMILES: CC(C)OC(=O)OOC(C)(C)C

Received at FYIcenter.com on: 2024-03-21

Molecule ID: FYI-1007922 Edit

Molecule Structure InChIKey: KDGNCLDCOVTOCS-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)OC(=O)OOC(C)(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1007922
FYIcenter.com

 12 11  0  0  0  0  0  0  0  0999 V2000
    8.4871    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4248    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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  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  9  1  0  0  0  0
 12  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007922-3D
FYIcenter.com

 28 27  0     0  0  0  0  0  0999 V2000
   -1.4673   -0.6235    0.1816 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8066    0.5144    0.4458 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3732    0.3374    0.1652 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8341   -1.5621    0.6783 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6361    0.1389   -0.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8137    1.2070    0.9561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4558    0.7782   -1.4981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8235   -0.8216   -0.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0722   -0.0351    0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9607   -0.6248   -1.3337 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1330    1.0525    0.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7629   -0.3613    0.4527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0119    1.9535    0.9425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7605    1.7431    0.8284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8054    0.7564    1.9552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1890    0.0227   -2.2461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3750    1.2764   -1.8251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6570    1.5278   -1.5110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9266   -1.3182    0.8445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6775   -1.6171   -0.8669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7619   -0.3053   -0.3539 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3449   -0.8218    0.7785 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9405   -0.9509   -1.6984 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2968   -1.4935   -1.3699 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5580    0.1121   -2.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1215    0.6653   -0.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1802    1.4710    1.1484 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8884    1.8824   -0.5349 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  3 12  1  0  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  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
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
M  END
$$$$

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2024-04-14, 141👍, 0💬