Molecule FYI-1002279

A

Molecule Summary:

ID: FYI-1002279
Names: TARTARIC ACID;
InChIKey: FEWJPZIEWOKRBE-UHFFFAOYSA-N
SMILES: C(C(C(=O)O)O)(C(=O)O)O

Received at FYIcenter.com on: 2023-02-19

Molecule ID: FYI-1002279 Edit

Molecule Names: TARTARIC ACID;

Molecule Structure InChIKey: FEWJPZIEWOKRBE-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1002279
FYIcenter.com

 16 15  0     1  0  0  0  0  0999 V2000
    4.2690   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4030    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
  3  9  1  0  0  0  0
  3 15  1  0  0  0  0
  4 10  1  0  0  0  0
  4 16  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002279-3D
FYIcenter.com

 16 15  0     1  0  0  0  0  0999 V2000
    0.2674   -1.1369   -1.2439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2937   -0.6853    1.5063 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2574    1.3538    0.5057 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2660    1.1344   -0.8820 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7464   -0.7589   -0.1593 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7354   -0.6706    0.4107 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5250    0.0996   -0.6013 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5071    0.3058    0.5085 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9524    0.1710   -0.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9463    0.1871    0.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4199    0.8742   -1.3688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3863    1.2793    0.9950 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4451   -1.8528   -0.6115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4627   -1.5583    1.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1780    1.3682    0.8444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1924    1.0451   -1.1922 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
  3  9  1  0  0  0  0
  3 15  1  0  0  0  0
  4 10  1  0  0  0  0
  4 16  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
$$$$

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2023-03-17, 182👍, 0💬