Molecule Editor

Molecule ID: FYI-1016259 Edit

Molecule Structure InChIKey: MKAAXZSPRPHJOG-UHFFFAOYSA-M

Molecule Structure SMILES String: [O+]#C[Mn]3(Br)(C#[O+])(C#[O+])c1ccccc1c2ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1016259
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.7119    2.3829    0.0000 Mn  0  0  0  0  0  0  0  0  0  0  0  0
    1.9176    3.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5062    3.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6426    2.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4745    3.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1699    4.8409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0336    5.1454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2017    4.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3154    4.4288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5555    5.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3978    5.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7599    3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6288    1.5164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4449    1.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7841    0.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7841    0.0000    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    5.0948    0.3611    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    0.7623    0.7221    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    8.0552    2.0940    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  3  1  0  0  0  0
  2  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  2  1  0  0  0  0
  9  8  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
 16 17  3  0  0  0  0
 15 18  3  0  0  0  0
 14 19  3  0  0  0  0
  1 20  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016259-3D
FYIcenter.com

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.2686    0.0558    0.0023 O   0  3  0  0  0  0  0  0  0  0  0  0
    2.3965    0.0471   -0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4622    0.0307   -0.0143 Mn  0  0  0  0  0  0  0  0  0  0  0  0
    6.9311    0.0448   -0.0062 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.4622    2.1807   -0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4622    3.3088    0.0008 O   0  3  0  0  0  0  0  0  0  0  0  0
    4.4646    0.2188    2.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4650    0.3143    3.1811 O   0  3  0  0  0  0  0  0  0  0  0  0
    4.4603    0.2132   -2.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4568    1.3397   -2.8752 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4586    1.1569   -4.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4520   -0.1418   -4.7727 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4517   -1.2541   -3.9058 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4555   -1.0361   -2.5076 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4628   -1.9974   -1.3795 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4560   -3.3689   -1.6355 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4629   -4.2737   -0.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4627   -3.8184    0.7301 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4655   -2.4456    1.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4622   -1.4782   -0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4631    2.3516   -2.4928 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4568    2.0206   -4.9089 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4483   -0.2796   -5.8449 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4482   -2.2453   -4.3271 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4538   -3.7485   -2.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4578   -5.3362   -0.8014 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4680   -4.5453    1.5326 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4698   -2.1921    2.0705 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 20  1  0  0  0  0
  5  6  3  0  0  0  0
  7  8  3  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  2  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 17 26  1  0  0  0  0
 18 19  2  0  0  0  0
 18 27  1  0  0  0  0
 19 20  1  0  0  0  0
 19 28  1  0  0  0  0
M  END
$$$$