Molecule FYI-1001970

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Molecule Summary:

ID: FYI-1001970
SMILES: C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C

Received at FYIcenter.com on: 2023-01-09

Molecule ID: FYI-1001970 Edit

Molecule Structure SMILES String: C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001970
FYIcenter.com

 25 24  0  0  0  0  0  0  0  0999 V2000
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    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  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  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 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14  7  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
 20  7  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001970-3D
FYIcenter.com

 45 44  0  0  0  0  0  0  0  0999 V2000
    5.6510    2.3457    5.3865 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2191    2.9685    4.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8448    2.2025    3.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6229    1.0055    3.0359 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0027    3.0405    2.0189 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3389    2.4525    0.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8691    2.2086    0.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3579    1.1192    1.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6409   -0.1080    1.3508 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3821   -1.2244    1.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6047   -1.2899    1.2158 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4923   -2.3780    0.9791 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0325   -3.5769    0.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1920    1.6830   -0.8134 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9181    2.6660   -1.8282 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9894    3.0625   -2.5646 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1480    2.7156   -2.4142 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    4.0264   -3.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4022    4.5855   -4.4259 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6650    3.5188    0.8381 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4128    4.1864    2.0885 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4181    4.1809    2.9907 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4008    3.4573    2.9780 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1648    5.2606    3.9707 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0761    5.5704    4.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9874    2.9119    6.2489 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7035    1.2615    5.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2179    4.0479    4.2047 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0150    3.1782   -0.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7473    1.5457    0.5680 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1986    1.3982    2.6357 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4423    0.9849    1.4838 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4240   -2.2221    1.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1109   -3.7115    0.6803 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4148   -4.4525    0.5563 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5790    0.8078   -1.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2356    1.3460   -0.8476 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4689    4.2600   -3.6182 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4621    4.3438   -4.3858 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804    5.2974   -5.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3799    4.2547    0.0775 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7377    3.3411    0.6977 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2390    5.8170    3.8783 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0145    5.0259    4.9791 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9126    6.3882    5.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  2  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
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 43  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
M  END
$$$$

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2023-01-31, 2286👍, 0💬