Molecule FYI-1007582

A

Molecule Summary:

ID: FYI-1007582
Names:
InChIKey: LAIJSCGWONIXSJ-UHFFFAOYSA-L
SMILES: C[C-]1O[Cr+2]234(O)#[Cr+2](O)(O1)(O[C-](C)O2)([O+2](C)=CO3)[O+2](C)=CO4

Received at FYIcenter.com on: 2024-03-04

Molecule ID: FYI-1007582 Edit

Molecule Structure InChIKey: LAIJSCGWONIXSJ-UHFFFAOYSA-L

Molecule Structure SMILES String: C[C-]1O[Cr+2]234(O)#[Cr+2](O)(O1)(O[C-](C)O2)([O+2](C)=CO3)[O+2](C)=CO4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007582
FYIcenter.com

 20 23  0  0  0  0  0  0  0  0999 V2000
    3.4127    1.1657    0.0000 Cr  0  2  0  0  0  0  0  0  0  0  0  0
    1.9793    0.6571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7158    2.3726    0.0000 Cr  0  2  0  0  0  0  0  0  0  0  0  0
    4.1792    2.9440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4618    2.1391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3436    0.8011    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4352    0.3045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3838    3.4166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0958    2.8414    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    6.1285    3.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    1.4554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0774    2.0302    0.0000 O   0  2  0  0  0  0  0  0  0  0  0  0
    0.3169    3.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8585    0.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4732    0.1010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7490    3.5151    0.0000 O   0  2  0  0  0  0  0  0  0  0  0  0
    3.3586    4.7715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5732    2.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4274    1.4554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  3  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 12  1  1  0  0  0  0
 13  3  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  2  0  0  0  0
 16 15  1  0  0  0  0
 16  1  1  0  0  0  0
 17  3  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  2  0  0  0  0
 20 19  1  0  0  0  0
 20  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007582-3D
FYIcenter.com

 36 39  0  0  0  0  0  0  0  0999 V2000
    1.1432    0.0212   -0.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6629    0.0102   -0.1914 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.0999    1.1537   -0.9477 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5314    1.5577   -0.6046 Cr  0  2  0  0  0  0  0  0  0  0  0  0
    4.4552    3.6063   -0.6180 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6374   -1.2948   -0.5859 Cr  0  2  0  0  0  0  0  0  0  0  0  0
    6.6831   -1.3288   -0.4576 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1033   -1.2694   -0.6822 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8208   -0.9143   -2.5085 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9975    0.1911   -3.0179 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.6361   -0.1289   -4.4762 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2392    1.6471   -2.6317 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8057   -0.9064    1.2762 O   0  2  0  0  0  0  0  0  0  0  0  0
    5.0710   -1.9522    2.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8708    0.3035    1.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7502    1.4908    0.9139 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7135   -3.3434   -0.5725 O   0  2  0  0  0  0  0  0  0  0  0  0
    3.7735   -4.3262   -0.7581 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1306   -2.9686    0.3183 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4538    2.1004   -0.1439 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7954    0.9727    0.3516 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7910   -0.8237    0.5255 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7023   -0.0756   -1.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4998    3.8286   -0.7536 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9603   -0.3819   -0.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4531   -1.2303   -4.5477 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4735    0.0825   -5.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6983    0.3570   -4.8072 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0021   -2.9305    1.6559 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3625   -1.9871    2.9987 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1183   -1.8621    2.5337 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0645    0.4715    2.7370 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7971   -3.8085   -0.9118 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6538   -4.9215    0.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9719   -4.9389   -1.6548 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9182   -3.6348    0.6676 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  3  0  0  0  0
  4 12  1  0  0  0  0
  4 16  1  0  0  0  0
  4 20  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  6 17  1  0  0  0  0
  7 25  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
M  END
$$$$

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2024-03-17, 189👍, 0💬