Molecule Editor

Molecule ID: FYI-1002646 Edit

Molecule Structure InChIKey: FBYHZZWKPIZPMD-SWJSCKDZSA-L

Molecule Structure SMILES String: Cc4ccc3O[Fe](Cl)(c1c(C)c(C)c(C)c(C)c1C)/[N+](=N/c2ccc(N)cc2)c3c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1002646
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    4.1992    0.8276    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2425    1.7670    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    3.9319    2.2701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6455    3.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8033    4.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4017    4.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1597    5.5267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3107    3.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5303    1.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4392    1.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8409    1.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0605    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6157    1.4751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3177    2.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6908    2.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1247    4.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1853    5.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6191    6.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8121    5.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3783    3.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0958    3.1632    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.9031    4.0616    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8800    5.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6754    5.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6642    7.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8800    8.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8800    9.4806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0958    7.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0958    5.9709    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
 12  3  1  0  0  0  0
 13 12  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 21 15  1  0  0  0  0
 22 21  1  0  0  0  0
 22  2  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 27  1  0  0  0  0
 30 29  2  0  0  0  0
 30 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002646-3D
FYIcenter.com

 57 60  0  0  0  0  0  0  0  0999 V2000
    1.1774    0.0909    0.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6806    0.0797    0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4094    1.2783    0.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8051    1.2567    0.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4773    0.0327    0.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8204   -0.0595   -0.0546 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3802   -1.6776   -0.8852 Fe  0  0  3  0  0  0  0  0  0  0  0  0
    6.2023   -1.1121   -2.7816 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.7859   -2.2163    0.5764 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7079   -2.4727    1.9632 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3987   -2.3253    2.6889 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8869   -2.8857    2.6635 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8468   -3.1972    4.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1249   -3.0179    1.9622 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3987   -3.4547    2.6728 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1774   -2.7411    0.5703 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4661   -2.8648   -0.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9993   -2.3475   -0.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9436   -2.0408   -1.5776 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6531   -2.3057   -0.1506 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4272   -3.5301    0.0457 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2456   -4.1458    0.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3641   -1.1426   -0.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$