Molecule Editor

Molecule ID: FYI-1016842 Edit

Molecule Structure InChIKey: ZQOVXSBCUVHQBD-UHFFFAOYSA-N

Molecule Structure SMILES String: C6[Ti]7C[Ti]589C[Ti]4%10%12C[Ti]23%11C[Ti]1C[Ti](C12)C3[Ti](C4[Ti](C5[Ti]6C78)C9%10)C%11%12

Download SDF Download SVG Structure in 2D SDF:

FYI-1016842
FYIcenter.com

 22 33  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1101    0.0000 Ti  0  0  0  0  0  0  0  0  0  0  0  0
    1.2848    0.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3411    0.1290    0.0000 Ti  0  0  0  0  0  0  0  0  0  0  0  0
    4.0727    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3770    0.0171    0.0000 Ti  0  0  0  0  0  0  0  0  0  0  0  0
    6.8273    0.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8470    1.7892    0.0000 Ti  0  0  0  0  0  0  0  0  0  0  0  0
    8.4062    3.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8140    4.1320    0.0000 Ti  0  0  0  0  0  0  0  0  0  0  0  0
    5.5960    3.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9957    2.5019    0.0000 Ti  0  0  0  0  0  0  0  0  0  0  0  0
    4.7824    2.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3508    1.7140    0.0000 Ti  0  0  0  0  0  0  0  0  0  0  0  0
    3.6566    2.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5695    2.1101    0.0000 Ti  0  0  0  0  0  0  0  0  0  0  0  0
    2.5695    3.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2848    3.3948    0.0000 Ti  0  0  0  0  0  0  0  0  0  0  0  0
    1.2848    2.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2759    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5828    1.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2324    2.9173    0.0000 C   0  0  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
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14  5  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 16  3  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 18  1  1  0  0  0  0
 19 18  1  0  0  0  0
 19  2  1  0  0  0  0
 19 16  1  0  0  0  0
 20 16  1  0  0  0  0
 20  4  1  0  0  0  0
 20 14  1  0  0  0  0
 21 14  1  0  0  0  0
 21  6  1  0  0  0  0
 21 12  1  0  0  0  0
 22 12  1  0  0  0  0
 22 10  1  0  0  0  0
 22  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016842-3D
FYIcenter.com

 41 52  0  0  1  0  0  0  0  0999 V2000
    5.5258   -0.2418    1.9267 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6470   -2.3795    1.8032 Ti  0  0  0  0  0  0  0  0  0  0  0  0
    4.3259   -2.5709    0.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4558   -2.2220    1.1423 Ti  0  0  0  0  0  0  0  0  0  0  0  0
    1.6182   -2.3926   -0.8305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3772   -2.1245   -0.3933 Ti  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9988   -1.6412    0.8737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6147   -1.4220   -0.4312 Ti  0  0  0  0  0  0  0  0  0  0  0  0
   -4.9558   -1.3359    1.2279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7190   -0.7453    0.2656 Ti  0  0  0  0  0  0  0  0  0  0  0  0
   -6.0068    1.2739    0.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9078    0.9006   -1.6753 Ti  0  0  0  0  0  0  0  0  0  0  0  0
   -5.4506   -1.2267   -1.3954 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.0980    0.5630   -0.5209 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5750    0.0277   -1.8866 Ti  0  0  0  0  0  0  0  0  0  0  0  0
    0.0194   -0.1043   -0.4303 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2742   -0.3429    1.7254 Ti  0  0  0  0  0  0  0  0  0  0  0  0
    2.3620   -0.1245    1.1998 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6458   -0.2280    2.9532 Ti  0  0  0  0  0  0  0  0  0  0  0  0
    3.7465   -2.4177    2.7863 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4352   -2.5407    1.4903 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.0580   -2.1326   -1.6623 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4235    0.2105    0.9124 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3526    0.2245    2.4902 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4640   -1.8873   -0.6765 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2828   -3.6296   -0.1574 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0186   -1.6498   -1.5440 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7742   -3.4369   -1.1925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8787   -0.7033    1.4380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2545   -2.4595    1.5817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5821   -0.6459    2.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0513   -2.3692    1.6240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2654    1.4863    0.8959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7444    2.0913    0.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7322   -1.8577   -2.2649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8255    1.1811    0.3466 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8863    0.4216   -0.8680 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3185    0.9716    1.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5227   -3.0213    3.6877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0036   -3.4026    2.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1460   -2.7455   -2.5790 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
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  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
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  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
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 12 13  1  0  0  0  0
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 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
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 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
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 18 19  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
M  END
$$$$