Molecule FYI-1003364

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A

Molecule Summary:

ID: FYI-1003364
Names:
InChIKey: JLBXCKSMESLGTJ-UHFFFAOYSA-N
SMILES: CCOC(O)CC

Received at FYIcenter.com on: 2023-06-06

Molecule ID: FYI-1003364 Edit

Molecule Structure InChIKey: JLBXCKSMESLGTJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(O)CC

Download SDF Download SVG Structure in 2D SDF:

FYI-1003364
FYIcenter.com

  7  6  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0038    0.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9794    1.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8621    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6744    1.1402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7379    0.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9232    2.4856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  3  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003364-3D
FYIcenter.com

 19 18  0     1  0  0  0  0  0999 V2000
    0.4966    0.2879   -0.1638 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4632   -1.8737   -0.1196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5833   -0.5192    0.3075 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8857    0.0272   -0.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1590    1.4645    0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7556   -0.1461    0.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8390    0.7595   -0.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6264   -0.4876    1.4032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8431   -0.0195   -1.3748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7231   -0.6121    0.0247 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7550   -0.1067    1.4266 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9565   -1.1741    0.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2107    1.5522    1.2272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3801    2.1416   -0.2266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1153    1.8010   -0.2756 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8241    0.4543    0.1499 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8444    0.7382   -1.3087 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6590    1.7980    0.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0281   -2.3520    0.5697 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
M  END
$$$$

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2023-07-01, 2557👍, 0💬