Molecule FYI-1010261

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A

Molecule Summary:

ID: FYI-1010261
Names:
InChIKey: YSDVJAQJMZKTGY-UHFFFAOYSA-N
SMILES: CC(C)OC(=O)C(C)OC=O

Received at FYIcenter.com on: 2024-06-03

Molecule ID: FYI-1010261 Edit

Molecule Structure InChIKey: YSDVJAQJMZKTGY-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1010261
FYIcenter.com

 11 10  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    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
    1.2125    0.0000    0.0000 O   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  4  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010261-3D
FYIcenter.com

 23 22  0     1  0  0  0  0  0999 V2000
    1.2683    0.4953   -0.0263 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0948   -0.7281    0.0434 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4014   -1.5510    0.5895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5768    0.9902    0.5036 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5804    0.0476    0.3294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0615    0.2053   -0.2301 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3978    1.2325    0.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2236   -0.6242   -0.8743 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2662   -0.4139    0.1565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1072    0.5401   -1.7107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2975   -0.1937    0.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5298   -0.6705    1.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1781    1.1076    0.3835 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4719    2.0041    0.0467 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4080    0.9285    1.1115 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9106    1.6993    1.6839 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2703    0.0636   -1.7258 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2377   -0.9652   -0.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6346   -1.4878   -1.2006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9570   -0.3597   -2.3184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3340    1.2646   -1.9850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0813    0.9541   -1.9911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0051   -1.0168    0.5809 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  3  9  2  0  0  0  0
  4 11  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
$$$$

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