Molecule FYI-1003145

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A

Molecule Summary:

ID: FYI-1003145
Names:
InChIKey: ZSQRIKQHTFHDRO-GSVOUGTGSA-M
SMILES: CSC(=O)[C@H](C)C(=O)[O-]

Received at FYIcenter.com on: 2023-05-14

Molecule ID: FYI-1003145 Edit

Molecule Structure InChIKey: ZSQRIKQHTFHDRO-GSVOUGTGSA-M

Molecule Structure SMILES String: CSC(=O)[C@H](C)C(=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1003145
FYIcenter.com

  9  8  0  0  1  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.5000    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
    1.2124    2.1000    0.0000 S   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
    2.4249    0.0000    0.0000 O   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
  4  5  1  6  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  6  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003145-3D
FYIcenter.com

 16 15  0  0  1  0  0  0  0  0999 V2000
    6.7428   -2.7820    3.4343 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0875   -2.4298    2.8130 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5616   -1.6552    1.2903 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2911   -0.6627    1.3235 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8939   -2.1346    0.0280 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4170   -1.7624    0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2080   -3.6075   -0.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2195   -4.3693   -0.3787 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4378   -3.8982   -0.1759 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.6614   -3.3831    4.3448 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2665   -1.8546    3.6827 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3247   -3.3436    2.6998 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3780   -1.6081   -0.8076 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8626   -2.2248    0.8261 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9473   -2.0884   -0.9306 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2872   -0.6774    0.0854 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5  3  1  0  0  0  0
  5 13  1  6  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 2178👍, 0💬