Molecule Editor

Molecule ID: FYI-1016258 Edit

Molecule Structure InChIKey: JNSGLDWFWYRYSS-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-1016258
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  0  0  0  0  0  0  0  0  0  0  0
    5.0948    0.3611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7623    0.7221    0.0000 O   0  0  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  2  0  0  0  0
 15 18  2  0  0  0  0
 14 19  2  0  0  0  0
  1 20  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016258-3D
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
    1.4553    0.9604    0.7997 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1486    0.2504    0.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4247    1.0726   -1.6699 Mn  0  0  0  0  0  0  0  0  0  0  0  0
    4.7140    1.5507   -3.7519 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7254    3.1117   -1.5830 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2964    3.8245   -0.7002 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9132    1.4103   -0.3739 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5675    1.6477    0.7656 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0961    0.4060   -2.7564 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0575    1.1626   -3.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1030    0.8104   -3.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1768   -0.4359   -4.3946 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2262   -1.3155   -4.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2191   -0.8690   -3.1703 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3861   -1.5429   -2.6033 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8146   -2.8247   -2.8906 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9911   -3.2962   -2.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7311   -2.4942   -1.4536 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2984   -1.2417   -1.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1150   -0.7722   -1.7223 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8297   -0.8092    0.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1194    3.6266   -2.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8054    1.9081   -0.7939 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9075    2.0357   -2.7680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6521    1.5622   -4.0815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6132   -0.6339   -5.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2149   -2.2735   -4.4548 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2708   -3.4480   -3.5641 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3496   -4.2762   -2.5000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6499   -2.8113   -1.0039 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9488   -0.6825   -0.5475 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 21  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  2  0  0  0  0
  5 22  1  0  0  0  0
  7  8  2  0  0  0  0
  7 23  1  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 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  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 28  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 19  2  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
M  END
$$$$