Molecule FYI-1001633

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Molecule Summary:

ID: FYI-1001633
SMILES: OC(C(O)COC(=O)C=C)C(O)C(O)COC(=O)C=C

Received at FYIcenter.com on: 2022-10-12

Molecule ID: FYI-1001633 Edit

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1001633
FYIcenter.com

 38 37  0  0  0  0  0  0  0  0999 V2000
   -0.6259   -1.2935    0.9688 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6347   -0.4270   -0.1675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8623    0.4841   -0.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8711    1.3506   -1.2408 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1318   -0.3699   -0.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2909    0.4861    0.0741 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4975   -0.1145    0.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5784   -1.3206   -0.0286 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7150    0.6890    0.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9062    0.0961    0.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6347    0.4270   -0.1675 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6259    1.2935    0.9688 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8623   -0.4841   -0.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8711   -1.3506   -1.2408 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1318    0.3699   -0.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2909   -0.4861    0.0741 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4975    0.1145    0.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5784    1.3206   -0.0286 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7150   -0.6890    0.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9062   -0.0961    0.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5940   -0.8298    1.8168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6714   -1.0235   -1.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8257    1.0806    0.8070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9031    0.8869   -2.0888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2137   -0.8990   -1.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0841   -1.0918    0.7108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6431    1.7608    0.3862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8010    0.6866    0.4275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9781   -0.9757    0.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6714    1.0235   -1.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5940    0.8298    1.8168 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8257   -1.0806    0.8070 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9031   -0.8869   -2.0888 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2137    0.8990   -1.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0841    1.0918    0.7108 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6431   -1.7608    0.3862 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9781    0.9757    0.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8010   -0.6866    0.4275 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001633-3D
FYIcenter.com

 38 37  0  0  1  0  0  0  0  0999 V2000
    1.1811   -0.0131   -0.1873 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6135    0.0440   -0.0214 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9770    0.7409    1.3185 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4061    0.0585    2.4435 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4991    0.8842    1.5065 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8176    1.5913    2.7183 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6400    2.9318    2.6610 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2918    3.5717    1.6848 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9341    3.4949    3.9951 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8459    4.8134    4.2107 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1525   -1.4027   -0.1418 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6244   -2.1584    0.9660 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7706   -2.1249   -1.4590 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3431   -2.2553   -1.5718 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3389   -1.4182   -2.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0146   -2.1382   -3.9082 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -3.2283   -4.1446 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7296   -3.6016   -3.4803 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2644   -3.8974   -5.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8363   -5.0226   -5.8039 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8236    0.8707    0.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9970    0.6544   -0.8441 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5075    1.7298    1.3302 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5434   -0.9026    2.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9624    1.3843    0.6460 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9735   -0.0959    1.6091 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2132    2.8069    4.7815 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5624    5.5042    3.4215 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0561    5.2296    5.1902 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2424   -1.4095   -0.0458 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6663   -2.2554    0.7737 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1432   -3.1539   -1.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9468   -1.4038   -1.2897 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4198   -1.2767   -2.6233 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8878   -0.4274   -2.8226 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4132   -3.4526   -5.8583 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6855   -5.4684   -5.2920 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4614   -5.5266   -6.6880 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-21, 414👍, 0💬