Molecule FYI-1002132

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A

Molecule Summary:

ID: FYI-1002132
Names:
InChIKey: XCUYWJKMSJIDKM-UHFFFAOYSA-N
SMILES: CC(=O)CO.CC(=O)CO

Received at FYIcenter.com on: 2023-02-04

Molecule ID: FYI-1002132 Edit

Molecule Structure InChIKey: XCUYWJKMSJIDKM-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)CO.CC(=O)CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1002132
FYIcenter.com

 20 18  0  0  0  0  0  0  0  0999 V2000
    2.8000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    1.9124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8876    0.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8876    4.3373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    2.9373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2573    0.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0449    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3449    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8324    1.9124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7449    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0449    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8324    2.9373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3449    4.8497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1449    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2573    4.3373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  1  1  0  0  0  0
  2  4  1  0  0  0  0
  5  2  1  0  0  0  0
  6  7  1  0  0  0  0
  6  5  1  0  0  0  0
  6 10  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 19  2  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  0  0  0  0
 18 16  1  0  0  0  0
 20 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002132-3D
FYIcenter.com

 22 20  0  0  0  0  0  0  0  0999 V2000
    0.4443   -1.1989    0.6622 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8524   -1.7410    0.5999 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5797   -1.6890    1.5922 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3051   -2.3264   -0.7317 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6213   -2.8431   -0.7005 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3553    1.5526   -1.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4832    1.1798   -0.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1645    0.1717   -0.3169 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7121    2.0782    1.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8696    1.7254    1.8319 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4269   -0.3444    1.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2352   -1.9755    1.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1301   -0.8477   -0.3234 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2676   -1.5441   -1.4965 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6243   -3.1253   -1.0243 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1742   -2.1289   -0.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7629    1.8661   -1.9960 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7602    2.3635   -0.6051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6991    0.6946   -1.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8424    2.0092    1.7600 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8272    3.1093    0.7539 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9343    0.7499    1.7939 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
M  END
$$$$

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2023-03-17, 2627👍, 0💬