Molecule FYI-1002021

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A

Molecule Summary:

ID: FYI-1002021
Names:
InChIKey: FQMIAEWUVYWVNB-UHFFFAOYSA-N
SMILES: C=CC(=O)OCCC(C)OC(=O)C=C

Received at FYIcenter.com on: 2023-01-18

Molecule ID: FYI-1002021 Edit

Molecule Structure InChIKey: FQMIAEWUVYWVNB-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1002021
FYIcenter.com

 14 13  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.0000    0.0000 C   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 C   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 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   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
    2.4249    0.0000    0.0000 O   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  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  2  0  0  0  0
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002021-3D
FYIcenter.com

 28 27  0     1  0  0  0  0  0999 V2000
   -1.8038   -0.0858   -0.1604 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3980    0.5111   -0.2605 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6081    0.0481    1.2771 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2221   -1.3114    0.8969 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2769    1.1762    0.2401 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1500    1.3397   -0.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0970    0.2785    0.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1936    2.2758   -0.2782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0731   -0.3556    0.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3656   -0.3629    0.1417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7036   -1.2354   -0.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6367    0.0368   -0.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9613   -1.6526   -0.5785 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7511   -0.6626   -0.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2463    1.2161    1.3367 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1558    1.2729   -1.3824 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5383    2.3350   -0.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1286    0.3360    1.3570 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7620   -0.7220   -0.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1789    2.2619    0.1965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3581    2.1720   -1.3568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7611    3.2642   -0.0897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1335   -1.5340   -1.6215 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6498    0.9004   -1.1525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4239   -2.2982   -1.3176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5572   -1.3710    0.2827 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6841   -0.3684   -0.7343 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7701   -1.5304    0.3851 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  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 23  1  0  0  0  0
 12 14  2  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
$$$$

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2023-01-18, 1676👍, 0💬