Molecule Editor

Molecule ID: FYI-1002665 Edit

Molecule Structure InChIKey: FBXLERDRXVKYNQ-VBPHADAZSA-L

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1002665
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
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    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 O   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-1002665-3D
FYIcenter.com

 56 59  0  0  0  0  0  0  0  0999 V2000
    1.1321    0.0113    0.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6353    0.0008    0.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3659    1.1984    0.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7678    1.1747    0.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4312   -0.0470    0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7769   -0.1414   -0.0577 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3276   -1.7644   -0.8871 Fe  0  0  3  0  0  0  0  0  0  0  0  0
    6.1513   -1.1988   -2.7828 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.7295   -2.3034    0.5802 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6526   -2.5609    1.9636 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3427   -2.4170    2.6889 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8302   -2.9700    2.6632 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7897   -3.2827    4.1492 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0702   -3.0977    1.9661 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3427   -3.5313    2.6786 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1275   -2.8229    0.5758 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4146   -2.9353   -0.2173 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9445   -2.4284   -0.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8909   -2.1172   -1.5687 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5955   -2.3857   -0.1545 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.3624   -3.6118    0.0281 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1782   -4.2234    0.5369 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 33  1  0  0  0  0
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  4  5  1  0  0  0  0
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M  END
$$$$