Molecule FYI-1006996

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Molecule Summary:

ID: FYI-1006996
Names:
InChIKey: WNLRTRBMVRJNCN-UHFFFAOYSA-N
SMILES: O=C(O)CCCCC(=O)O

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1006996 Edit

Molecule Structure InChIKey: WNLRTRBMVRJNCN-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)CCCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006996
FYIcenter.com

 10  9  0  0  0  0  0  0  0  0999 V2000
    8.4870    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   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
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  2  6  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006996-3D
FYIcenter.com

 20 19  0     0  0  0  0  0  0999 V2000
    4.1961   -0.8576    0.0801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2399    0.7958    0.0546 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3866    1.2615   -0.0096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3089   -1.2748   -0.0047 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6716    0.3719   -0.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6914   -0.3294   -0.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8370   -0.6184   -0.0352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8559    0.6535   -0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1915    0.0542    0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1865   -0.0567    0.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7320    0.9981    0.8680 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7613    1.0494   -0.8894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7655   -0.9245   -0.9949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7576   -1.0371    0.7603 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7937   -1.2338   -0.9408 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7609   -1.2728    0.8405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7779    1.2590    0.9053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8368    1.3156   -0.8768 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0773   -0.4280    0.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0973    0.3190    0.0599 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 19  1  0  0  0  0
  2 10  1  0  0  0  0
  2 20  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
M  END
$$$$

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2024-01-31, 1444👍, 0💬