Molecule Editor

Molecule ID: FYI-1002959 Edit

Molecule Structure InChIKey: KEKAQVJXZANGIK-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCC(=O)NC3CCCN5O[Fe]124(OC(C)N(CCCC(C(=O)O)NC(=O)C(C)NC(=O)C(CCCN(O1)C(C)O2)NC3=O)O4)OC5C

Download SDF Download SVG Structure in 2D SDF:

FYI-1002959
FYIcenter.com

 58 62  0  0  0  0  0  0  0  0999 V2000
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    3.3997    5.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5329    6.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5329    7.8513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6661    8.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6661    9.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7993   10.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7993   11.7769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.9343   14.5914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.6366   15.6327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3601   15.5017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3299   20.7799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4892   20.1730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5236   22.0739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7412   22.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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 21 20  1  0  0  0  0
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 32 28  1  0  0  0  0
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 58  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002959-3D
FYIcenter.com

127131  0  0  1  0  0  0  0  0999 V2000
    0.2180    2.4681    0.5829 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8956    3.2524   -0.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5584    3.8787   -1.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0506    3.9531   -1.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6992    4.5760   -2.3735 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1769    4.6455   -2.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7888    5.2628   -3.3367 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2459    5.3263   -3.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7893    5.9291   -4.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2298    5.9979   -4.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3138    8.2185   -4.0693 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$