Molecule FYI-1002114

A

Molecule Summary:

ID: FYI-1002114
Names:
InChIKey: SWHLOXLFJPTYTL-UHFFFAOYSA-N
SMILES: C=C(C)C(=O)OCC(C)(COC(=O)C(=C)C)COC(=O)C(=C)C

Received at FYIcenter.com on: 2023-01-31

Molecule ID: FYI-1002114 Edit

Molecule Structure InChIKey: SWHLOXLFJPTYTL-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1002114
FYIcenter.com

 23 22  0  0  0  0  0  0  0  0999 V2000
   12.1244    1.4000    0.0000 C   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
   10.9118    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    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
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    5.6000    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
    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
    1.2124    3.5000    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  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  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  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17  8  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002114-3D
FYIcenter.com

 47 46  0     0  0  0  0  0  0999 V2000
   -0.0412   -1.3988    0.0524 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4950    1.0647    0.1078 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4219    1.1186    0.0882 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1297   -2.9077    1.7886 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7196    1.3127   -1.8254 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6527    1.3989   -1.8367 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0227    1.0510    0.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0350   -0.3189    0.9765 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2858    1.1635   -0.6319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2148    1.1964   -0.6594 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0280    2.1789    1.3093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0910   -2.6514    0.5935 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6502    1.1558   -0.6147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5788    1.2358   -0.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0899   -3.6735   -0.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8270    1.0344    0.2903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7520    1.1366    0.2854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0402   -3.2523   -1.9269 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    0.8439    1.7634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5513    0.9361    1.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1349   -4.9619   -0.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0437    1.1030   -0.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9705    1.2341   -0.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8370   -0.4236    1.6350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9336   -0.3789    1.6037 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2763    2.1303   -1.1525 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2740    0.3753   -1.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2165    0.4113   -1.4262 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0505    3.1641    0.8302 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9021    2.1060    1.9657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8624    2.1372    1.9461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9069   -2.6308   -2.1752 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8712   -2.6796   -2.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0459   -4.1117   -2.6060 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0796    1.6877    2.1900 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0731   -0.0769    1.9609 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5858    0.7711    2.2968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0112    0.0028    1.9466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9783    1.7662    2.1826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5031    0.8818    2.2958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1367   -5.7537   -0.8634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1710   -5.2726    0.9181 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9404    1.0214    0.3367 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1910    1.2408   -1.3356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8649    1.1698    0.3458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1218    1.3793   -1.3307 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  2  9  1  0  0  0  0
  2 13  1  0  0  0  0
  3 10  1  0  0  0  0
  3 14  1  0  0  0  0
  4 12  2  0  0  0  0
  5 13  2  0  0  0  0
  6 14  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 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
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 21  2  0  0  0  0
 16 19  1  0  0  0  0
 16 22  2  0  0  0  0
 17 20  1  0  0  0  0
 17 23  2  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
M  END
$$$$

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2023-07-11, 793👍, 0💬