Molecule FYI-1001980

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Molecule Summary:

ID: FYI-1001980
SMILES: CC(CCOC(=O)C=C)OC(=O)C=C

Received at FYIcenter.com on: 2023-01-10

Molecule ID: FYI-1001980 Edit

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1001980
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-1001980-3D
FYIcenter.com

 28 27  0  0  1  0  0  0  0  0999 V2000
    1.1309   -0.1135   -0.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6543   -0.1290   -0.0064 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0618   -0.5890    1.3964 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5767   -0.5919    1.5969 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8938   -0.9916    2.9432 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8106    0.0017    3.8635 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5015    1.1635    3.6479 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1374   -0.5484    5.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0811    0.2400    6.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2001   -1.0410   -0.9796 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3021   -0.5380   -2.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0100    0.5916   -2.5944 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8260   -1.5920   -3.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0196   -1.3358   -4.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6832    0.5960    0.5697 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7128   -1.1082    0.0578 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8201    0.1652   -1.1447 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0529    0.8803   -0.1712 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6868   -1.6006    1.5963 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5923    0.0618    2.1442 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0206    0.3858    1.3717 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0517   -1.3186    0.9293 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4160   -1.5935    5.2591 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7976    1.2865    6.1969 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3158   -0.1422    7.2619 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0395   -2.5623   -2.7004 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7994   -0.3590   -4.8554 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4020   -2.0972   -5.1006 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  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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2023-02-03, 2837👍, 0💬