Molecule FYI-1002115

A

Molecule Summary:

ID: FYI-1002115
Names:
InChIKey: ZZYZXHWVEYEDLH-UHFFFAOYSA-N
SMILES: C=C(C)C(=O)OCC(CCC)(COC(=O)C(=C)C)COC(=O)C(=C)C

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

Molecule ID: FYI-1002115 Edit

Molecule Structure InChIKey: ZZYZXHWVEYEDLH-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1002115
FYIcenter.com

 25 24  0  0  0  0  0  0  0  0999 V2000
   12.1244    2.8000    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
   10.9118    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    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
    6.0621    2.1000    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
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.7000    0.0000 O   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
    8.4870    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 O   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
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    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  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19  8  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002115-3D
FYIcenter.com

 53 52  0     0  0  0  0  0  0999 V2000
    0.0429    1.6284   -0.1500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4608   -0.7005    0.1285 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4422   -0.7763    0.1115 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0515    2.9185   -2.0564 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7022   -0.7040    2.0670 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6782   -0.8607    2.0516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0195   -0.8255   -0.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0668   -2.0471   -1.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0018    0.4452   -0.9381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2601   -0.7924    0.8843 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.8489    0.8628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0943   -3.4253   -0.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2177   -4.5369   -1.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0646    2.8068   -0.8386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6208   -0.6641    0.8474 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6012   -0.7911    0.8331 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1079    3.9507    0.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7869   -0.5693   -0.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7717   -0.7083   -0.0842 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1207    3.7040    1.5919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5773   -0.5268   -1.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5671   -0.6262   -1.5659 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1345    5.1858   -0.4076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0074   -0.5250    0.4797 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9916   -0.7108    0.4732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9497   -1.9574   -1.6596 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8022   -2.0074   -1.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8914    0.4745   -1.5753 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8799    0.4276   -1.5965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -1.6848    1.5197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2028    0.0781    1.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2478   -1.7574    1.4767 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2108    0.0058    1.5517 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8206   -3.5871    0.2366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9407   -3.5054    0.3462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1427   -4.4360   -1.9520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2306   -5.5134   -0.8811 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6263   -4.5199   -2.0722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7799    3.1618    1.8986 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9987    3.1142    1.8752 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1533    4.6382    2.1628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9727    0.3429   -1.8347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0662   -1.4329   -1.8989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5245   -0.4573   -2.1027 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0313   -1.5094   -1.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9882    0.2664   -1.8248 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5173   -0.5714   -2.1081 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1665    6.0604    0.2346 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1254    5.3702   -1.4766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8969   -0.4558   -0.1389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1651   -0.5554    1.5526 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8842   -0.6525   -0.1419 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1456   -0.7700    1.5454 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 14  1  0  0  0  0
  2 10  1  0  0  0  0
  2 15  1  0  0  0  0
  3 11  1  0  0  0  0
  3 16  1  0  0  0  0
  4 14  2  0  0  0  0
  5 15  2  0  0  0  0
  6 16  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 12  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 23  2  0  0  0  0
 18 21  1  0  0  0  0
 18 24  2  0  0  0  0
 19 22  1  0  0  0  0
 19 25  2  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
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-11, 2465👍, 0💬