Molecule FYI-1002041

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A

Molecule Summary:

ID: FYI-1002041
Names:
InChIKey: INQDDHNZXOAFFD-UHFFFAOYSA-N
SMILES: C=CC(=O)OCCOCCOCCOC(=O)C=C

Received at FYIcenter.com on: 2023-01-22

Molecule ID: FYI-1002041 Edit

Molecule Structure InChIKey: INQDDHNZXOAFFD-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC(=O)OCCOCCOCCOC(=O)C=C

Download SDF Download SVG Structure in 2D SDF:

FYI-1002041
FYIcenter.com

 18 17  0  0  0  0  0  0  0  0999 V2000
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    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
   10.9119    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
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 O   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
    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  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  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002041-3D
FYIcenter.com

 36 35  0     0  0  0  0  0  0999 V2000
    1.3927   -2.3239   -0.1296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3931   -2.3228    0.1294 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6210    0.1371    0.3153 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6250    0.1306   -0.3130 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1577    1.5343   -0.6977 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1572    1.5348    0.6972 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6941   -3.4819    0.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6934   -3.4821   -0.3064 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6976   -2.2600    0.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6963   -2.2593   -0.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3913   -1.0075   -0.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3903   -1.0069    0.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1289    1.3386   -0.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1284    1.3393    0.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2076    2.3888    0.4108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2072    2.3896   -0.4112 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4736    3.6752    0.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4735    3.6760   -0.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2376   -4.3822   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6147   -3.4602    1.3989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2371   -4.3821    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6144   -3.4600   -1.3996 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6102   -2.2211    1.5253 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2736   -3.1465    0.1462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6096   -2.2209   -1.5251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2727   -3.1457   -0.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4576   -1.0329   -1.1605 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3963   -0.9375    0.3639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4584   -1.0351    1.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3959   -0.9402   -0.3629 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3173    2.1015    0.9591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3172    2.1015   -0.9592 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7954    4.4456    0.5186 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3541    3.9952   -0.3795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7954    4.4464   -0.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3542    3.9959    0.3788 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  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 19  1  0  0  0  0
  7 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
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 12  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 31  1  0  0  0  0
 16 18  2  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
M  END
$$$$

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2023-01-22, 2903👍, 0💬