Molecule FYI-1003438

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A

Molecule Summary:

ID: FYI-1003438
Names:
InChIKey: QRPOMHDOXMNIAI-UHFFFAOYSA-K
SMILES: CC(=O)O[Cr+3](OC(C)=O)OC(C)=O

Received at FYIcenter.com on: 2023-06-18

Molecule ID: FYI-1003438 Edit

Molecule Structure InChIKey: QRPOMHDOXMNIAI-UHFFFAOYSA-K

Molecule Structure SMILES String: CC(=O)O[Cr+3](OC(C)=O)OC(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003438
FYIcenter.com

 13 12  0  0  0  0  0  0  0  0999 V2000
    6.9129    4.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7004    3.5519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4880    4.2519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7004    2.1519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0951    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0227    0.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2658    2.2786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7071    0.4210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724    7.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8294    6.2252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880    8.0829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5476    4.2519    0.0000 Cr  0  1  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
 11 13  1  0  0  0  0
  7 13  1  0  0  0  0
  3 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003438-3D
FYIcenter.com

 22 21  0  0  0  0  0  0  0  0999 V2000
    0.7603   -0.1377    0.5806 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1972   -0.0046    0.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4874    0.3564   -0.9524 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1620   -0.2919    1.0768 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0536   -0.2381    0.9160 Cr  0  1  0  0  0  0  0  0  0  0  0  0
    6.2040    0.2231   -0.5113 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9345    0.6277   -1.7672 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0758    0.9257   -2.6897 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7864    0.7524   -2.1511 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0534   -0.7274    2.4269 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4942   -1.1044    3.5909 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3725   -1.4820    4.7404 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2799   -1.1379    3.7059 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0762    0.1284   -0.2538 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5506    0.5347    1.4393 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5536   -1.1845    0.8885 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0435    0.7576   -2.1682 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0330    1.9841   -3.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0331    0.2591   -3.5761 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4418   -1.3912    4.4504 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1716   -2.5319    5.0381 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1777   -0.8089    5.6007 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  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
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
$$$$

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2023-07-01, 2764👍, 0💬