Molecule FYI-1011709

A

Molecule Summary:

ID: FYI-1011709
Names:
InChIKey: HLYRMDDXFDINCB-UHFFFAOYSA-N
SMILES: [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe].[Fe]

Received at FYIcenter.com on: 2024-08-10

Molecule ID: FYI-1011709 Edit

Molecule Structure InChIKey: HLYRMDDXFDINCB-UHFFFAOYSA-N

Molecule Structure SMILES String: [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe].[Fe]

Download SDF Download SVG Structure in 2D SDF:

FYI-1011709
FYIcenter.com

 27 12  0  0  0  0  0  0  0  0999 V2000
   12.2242    3.2961    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
   12.2242    4.6961    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    9.5032    5.1759    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    9.5032    3.7759    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   12.1420    7.5162    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
   10.7421    7.5162    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    7.8255    7.9907    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    7.3468    6.6748    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    5.8961    4.1478    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    6.7960    3.0755    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    8.7310    0.5330    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
   10.1097    0.7761    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    4.0924    7.2707    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.8493    5.8920    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    4.2335    0.7000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    5.4459    0.0000    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    9.9504   10.4615    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    8.5504   10.4615    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    5.3240   11.5085    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    4.2516   10.6087    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    0.6657    5.0218    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    1.1446    3.7062    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    0.4789   10.2241    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    8.9086    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   12.8219   10.9596    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    8.2784   13.5464    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
   14.7442    6.3248    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  0  0  0  0
  4  3  3  0  0  0  0
  6  5  3  0  0  0  0
  8  7  3  0  0  0  0
 10  9  3  0  0  0  0
 12 11  3  0  0  0  0
 14 13  3  0  0  0  0
 16 15  3  0  0  0  0
 18 17  3  0  0  0  0
 20 19  3  0  0  0  0
 22 21  3  0  0  0  0
 24 23  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011709-3D
FYIcenter.com

 27 12  0  0  0  0  0  0  0  0999 V2000
   -0.7459   -1.2185   -3.4340 C   0  5  0  0  0  0  0  0  0  0  0  0
    0.1845   -0.8703   -3.7912 O   0  3  0  0  0  0  0  0  0  0  0  0
    0.8759    3.2448    2.6078 C   0  5  0  0  0  0  0  0  0  0  0  0
    1.8173    2.8683    2.2991 O   0  3  0  0  0  0  0  0  0  0  0  0
    0.5771   -3.8079    2.0408 C   0  5  0  0  0  0  0  0  0  0  0  0
    0.5988   -3.4972    1.0309 O   0  3  0  0  0  0  0  0  0  0  0  0
    2.3784   -0.0189    4.2758 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.9180    0.2368    3.4006 O   0  3  0  0  0  0  0  0  0  0  0  0
    3.1811    2.5161   -4.1239 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.7722    2.4037   -3.2567 O   0  3  0  0  0  0  0  0  0  0  0  0
    4.1430   -2.4376    1.5600 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.6554   -1.5846    1.1738 O   0  3  0  0  0  0  0  0  0  0  0  0
   -1.2961    1.8800   -1.1242 C   0  5  0  0  0  0  0  0  0  0  0  0
   -0.3679    1.4741   -1.4328 O   0  3  0  0  0  0  0  0  0  0  0  0
    2.6879   -0.2591   -1.9508 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.0814   -1.3004 O   0  3  0  0  0  0  0  0  0  0  0  0
    1.9071   -3.6965   -2.1329 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.4104   -3.3225   -1.2843 O   0  3  0  0  0  0  0  0  0  0  0  0
   -0.6597   -0.3310    1.8420 C   0  5  0  0  0  0  0  0  0  0  0  0
    0.1194   -0.4036    1.1335 O   0  3  0  0  0  0  0  0  0  0  0  0
    1.9856    3.8964   -0.9125 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.2490    2.9223   -0.6013 O   0  3  0  0  0  0  0  0  0  0  0  0
    6.3500    2.6509    1.6988 C   0  5  0  0  0  0  0  0  0  0  0  0
    6.1318    2.1032    0.8526 O   0  3  0  0  0  0  0  0  0  0  0  0
    3.8323    1.4670    1.0873 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    0.4033  -10.6784   -1.6557 Fe  0  0  0  0  0  0  0  0  0  0  0  0
   -8.8061    2.2398   -0.7659 Fe  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  3  4  3  0  0  0  0
  5  6  3  0  0  0  0
  7  8  3  0  0  0  0
  9 10  3  0  0  0  0
 11 12  3  0  0  0  0
 13 14  3  0  0  0  0
 15 16  3  0  0  0  0
 17 18  3  0  0  0  0
 19 20  3  0  0  0  0
 21 22  3  0  0  0  0
 23 24  3  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-08-14, 1880👍, 0💬