Molecule Editor

Molecule ID: FYI-1015470 Edit

Molecule Structure InChIKey: IWNUPTKVCHJRID-UHFFFAOYSA-O

Molecule Structure SMILES String: C[N+](C)(CCCCCCCCCCCC(=O)O)Cc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015470
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115    2.8002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.7002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015470-3D
FYIcenter.com

 60 60  0  0  0  0  0  0  0  0999 V2000
    2.7666    1.6447   -3.6455 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1761    1.4491   -2.2435 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.5797    0.0711   -1.7466 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7831    2.5559   -1.3578 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3483    2.5132    0.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8510    3.7383    0.8905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3944    5.0911    0.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8734    5.2097    0.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4452    6.5128   -0.4111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0783    6.6059   -0.4577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5157    7.9011   -1.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0368    8.0227   -1.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4437    9.3302   -1.8366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9604    9.4929   -1.8939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3455   10.7830   -2.5794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5611   11.5775   -3.0697 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6855   10.9751   -2.6107 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6402    1.6033   -2.2924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1356    0.6919   -3.2102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6210   -0.5422   -2.7458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4109   -1.3486   -3.5664 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 18  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
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  5 33  1  0  0  0  0
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  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
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  8 39  1  0  0  0  0
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M  END
$$$$