Molecule Editor

Molecule ID: FYI-1002652 Edit

Molecule Structure InChIKey: VQTMBGMJGAYMGT-WQKNRVTRSA-L

Molecule Structure SMILES String: Cc4ccc3O[Fe](Cl)(c1cc(C)cc(C)c1)/[N+](=N/c2ccc(N(C)C)cc2)c3c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1002652
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    8.3358    1.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3358    2.7235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5567    3.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1149    3.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1149    4.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8969    5.5284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6730    4.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4915    5.4413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2312    4.8382    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.9433    5.4116    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    0.6503    6.7906    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0390    6.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6935    9.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8184    7.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7049    3.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2693    1.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    0.7545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5916    1.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5349    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0272    2.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0839    3.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6730    3.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8939    2.7235    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  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  2  0  0  0  0
 19 12  1  0  0  0  0
 20 10  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 24  1  0  0  0  0
 27 26  2  0  0  0  0
 27 21  1  0  0  0  0
 27  9  1  0  0  0  0
 28  7  1  0  0  0  0
 29 28  2  0  0  0  0
 29  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002652-3D
FYIcenter.com

 54 57  0  0  0  0  0  0  0  0999 V2000
    1.0167   -0.0667    0.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5085    0.0661    0.0693 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0720    1.3095   -0.2218 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4426    1.4239   -0.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2458    0.2988   -0.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5532    0.4535   -0.3398 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5749   -1.0663   -0.0980 Fe  0  0  3  0  0  0  0  0  0  0  0  0
    7.5242   -1.7129   -2.2903 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.0053   -2.4445    0.3280 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9019   -1.9055    1.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4018   -3.7547    0.9153 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7771   -2.0157    0.0927 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.6931   -3.2712    0.2859 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5175   -4.0702    0.4894 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3447   -3.9662   -0.2703 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1541   -4.5676    0.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3407   -1.0622    0.2443 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7254   -0.4827    1.1454 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6692   -0.7479   -0.6459 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$