Molecule FYI-1016395

A

Molecule Summary:

ID: FYI-1016395
Names:
InChIKey: OAQBLEVSDUBNBM-UHFFFAOYSA-N
SMILES: S2[Fe]14[S+]7[Fe]%12[S+]1[Fe]5%13S[Fe]6%11[S+]3[Mo]%10[S+]8[Fe]23[C+2]4569[Fe]7(S[Fe]89[S+]%10%11)[S+]%12%13

Received at FYIcenter.com on: 2025-12-21

Molecule ID: FYI-1016395 Edit

Molecule Structure InChIKey: OAQBLEVSDUBNBM-UHFFFAOYSA-N

Molecule Structure SMILES String: S2[Fe]14[S+]7[Fe]%12[S+]1[Fe]5%13S[Fe]6%11[S+]3[Mo]%10[S+]8[Fe]23[C+2]4569[Fe]7(S[Fe]89[S+]%10%11)[S+]%12%13

Download SDF Download SVG Structure in 2D SDF:

FYI-1016395
FYIcenter.com

 18 30  0  0  0  0  0  0  0  0999 V2000
    1.6490    1.2758    0.0000 C   0  2  0  0  0  0  0  0  0  0  0  0
    1.7810    0.2601    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    2.5613    0.0850    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7693    0.9864    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    2.7693    2.3733    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    1.6169    2.4731    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    0.5013    2.4223    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4561    1.2174    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    0.5503    0.1543    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7859    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    2.7938    0.0863    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    2.7086    1.3678    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    1.7236    2.1705    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    2.8536    0.0211    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5534    0.0000    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    2.7908    0.2192    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    1.1377    2.9236    0.0000 Mo  0  0  0  0  0  0  0  0  0  0  0  0
    0.7312    1.2877    0.0000 S   0  3  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  3  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 12  1  1  0  0  0  0
 13 12  1  0  0  0  0
 13  8  1  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 15  1  1  0  0  0  0
 16 15  1  0  0  0  0
 16  4  1  0  0  0  0
 17 16  1  0  0  0  0
 17  5  1  0  0  0  0
 18 17  1  0  0  0  0
 18  6  1  0  0  0  0
 18 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016395-3D
FYIcenter.com

 18 30  0  0  0  0  0  0  0  0999 V2000
    2.5137    0.5280    1.8633 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7315    0.9196    2.3296 Fe  0  0  3  0  0  0  0  0  0  0  0  0
    4.5663   -0.7104    3.9738 S   0  3  3  0  0  0  0  0  0  0  0  0
    6.7377   -0.3555    4.3697 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    6.9353    1.3681    2.9599 S   0  3  3  0  0  0  0  0  0  0  0  0
    7.4955   -0.1902    1.3335 Fe  0  0  3  0  0  0  0  0  0  0  0  0
    7.6406    1.5618   -0.1497 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4329    1.1172   -0.6185 Fe  0  0  3  0  0  0  0  0  0  0  0  0
    3.1921    0.7664   -1.2199 S   0  3  3  0  0  0  0  0  0  0  0  0
    3.9445   -0.7512   -2.9443 Mo  0  0  0  0  0  0  0  0  0  0  0  0
    3.9304   -2.5416   -1.3203 S   0  3  3  0  0  0  0  0  0  0  0  0
    3.2894   -0.9859    0.3151 Fe  0  0  3  0  0  0  0  0  0  0  0  0
    5.3849   -0.5452    0.8235 C   0  2  0  0  0  0  0  0  0  0  0  0
    5.2604   -2.1770    2.2937 Fe  0  0  3  0  0  0  0  0  0  0  0  0
    6.0049   -3.7217    0.7611 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1023   -1.9546   -0.7078 Fe  0  0  3  0  0  0  0  0  0  0  0  0
    6.2285   -0.2588   -2.3245 S   0  3  3  0  0  0  0  0  0  0  0  0
    7.4752   -1.8969    2.9284 S   0  3  3  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
$$$$

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2026-01-24, 852👍, 0💬