Molecule Editor

Molecule ID: FYI-1006717 Edit

Molecule Structure InChIKey: INAMZVNNXPISDS-UHFFFAOYSA-O

Molecule Structure SMILES String: C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=CCCC(=O)OC(COC(=O)C=C=C=C=C=C=C=C=C=C=C=C=C=C=C)COP(=O)(O)OCC[N+](C)(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1006717
FYIcenter.com

 56 55  0  0  0  0  0  0  0  0999 V2000
   21.8982    3.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1075    4.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3167    3.8392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.5136    4.5582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3936    1.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3936    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1845    2.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9400    1.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7697    2.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5250    1.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3548    2.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1102    1.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9400    2.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6955    1.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5252    2.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2805    1.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6027    2.0942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6027    3.4905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1076    5.9335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.9395    3.8936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6891    4.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4801    3.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2709    4.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0618    3.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9570    2.9374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.2937    3.3404    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   31.3110    2.3843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.6130    4.6996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.6305    3.7434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.9863    5.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3334    5.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6892    6.8105    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   35.0364    7.1774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6979    7.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0450    8.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8493    4.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6369    3.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4245    4.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2120    3.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9996    4.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7872    3.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5747    4.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3623    3.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1498    4.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9374    3.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1071    2.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8591    2.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6857    2.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4377    2.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2643    2.9991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0163    2.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8428    3.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5948    2.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4214    3.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1734    2.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  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
  9 10  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  2  0  0  0  0
  5 17  1  0  0  0  0
 17 18  1  0  0  0  0
  4 18  1  0  0  0  0
  2 19  2  0  0  0  0
 18 20  1  0  0  0  0
  1 21  2  0  0  0  0
 21 22  2  0  0  0  0
 22 23  2  0  0  0  0
 23 24  2  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 24 36  2  0  0  0  0
 36 37  2  0  0  0  0
 37 38  2  0  0  0  0
 38 39  2  0  0  0  0
 39 40  2  0  0  0  0
 40 41  2  0  0  0  0
 41 42  2  0  0  0  0
 42 43  2  0  0  0  0
 43 44  2  0  0  0  0
 44 45  2  0  0  0  0
 16 46  2  0  0  0  0
 46 47  2  0  0  0  0
 47 48  2  0  0  0  0
 48 49  2  0  0  0  0
 49 50  2  0  0  0  0
 50 51  2  0  0  0  0
 51 52  2  0  0  0  0
 52 53  2  0  0  0  0
 53 54  2  0  0  0  0
 54 55  2  0  0  0  0
 55 56  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006717-3D
FYIcenter.com

 85 84  0  0  1  0  0  0  0  0999 V2000
   50.5633  -10.8034    2.3476 C   0  0  0  0  0  0  0  0  0  0  0  0
   49.4079  -10.1999    2.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
   48.3433   -9.6433    2.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.2674   -9.0792    1.8613 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.1946   -8.5151    1.7095 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.1184   -7.9475    1.5549 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.0357   -7.3776    1.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.9479   -6.8063    1.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.8638   -6.2306    1.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.7705   -5.6544    0.9565 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.6806   -5.0774    0.8000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.5910   -4.4998    0.6461 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5042   -3.9175    0.4972 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4218   -3.3301    0.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3422   -2.7358    0.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2669   -2.1327    0.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1939   -1.5361   -0.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1094   -0.9615   -0.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8772   -0.4356   -0.3234 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2224    0.9031    0.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8316    0.9409    0.9115 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7890    0.2723    2.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0709    0.6240    3.1927 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.6944   -0.7310    2.2917 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.3167   -1.0286    3.5509 C   0  0  3  0  0  0  0  0  0  0  0  0
   29.9082   -2.4742    3.9939 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4801   -2.7367    4.1543 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8287   -2.1571    5.1865 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3189   -1.3474    5.9663 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.4053   -2.6020    5.3524 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7239   -3.5430    4.7296 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9959   -4.3806    4.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2677   -5.2174    3.7265 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5646   -6.0634    3.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8854   -6.9176    2.6583 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2219   -7.7766    2.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5685   -8.6377    1.5403 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9143   -9.5072    0.9780 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2687  -10.3638    0.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6058  -11.2185   -0.1348 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9730  -12.0729   -0.7222 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3289  -12.9182   -1.2926 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6726  -13.7690   -1.8575 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9627  -14.6853   -2.4643 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8651   -0.9145    3.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4034    0.3818    2.8538 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.1437    1.6938    3.9511 P   0  0  3  0  0  0  0  0  0  0  0  0
   32.9664    0.9145    5.0017 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2178    2.5889    3.0553 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8840    3.0059    5.0484 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.9657    3.1842    5.9555 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7811    4.3290    6.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0051    4.4558    7.8540 N   0  3  0  0  0  0  0  0  0  0  0  0
   34.2315    3.1696    8.6694 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2782    4.7925    7.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7135    5.5893    8.8303 C   0  0  0  0  0  0  0  0  0  0  0  0
   51.4743  -10.5010    1.8326 H   0  0  0  0  0  0  0  0  0  0  0  0
   50.6932  -11.6498    3.0261 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.2029   -0.9409   -1.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.0375    1.5123   -0.7411 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.9392    1.4692    0.7607 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.0000    0.5538    0.3121 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.5951    2.0016    1.1124 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.0326   -0.2945    4.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.4349   -2.7442    4.9185 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.2343   -3.1825    3.2232 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.9175   -2.0442    6.1537 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7014  -14.5984   -3.5159 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5953  -15.5707   -1.9503 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.1213   -1.6114    2.4888 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.4240   -1.2509    4.1684 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.8956    2.9552    2.2065 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.8710    3.3224    5.3581 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.0569    2.2873    6.5661 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.8943    4.1633    7.5430 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.6597    5.2774    6.3861 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.5232    2.3614    7.9925 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.3007    2.9256    9.1887 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.0443    3.3489    9.3772 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.5373    3.9557    6.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.0887    4.9526    7.7979 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.0935    5.6946    6.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.8092    5.3326    9.3893 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.5617    6.5044    8.2510 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.5687    5.6929    9.5024 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 57  1  0  0  0  0
  1 58  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  2  0  0  0  0
  5  6  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  2  0  0  0  0
 16 17  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 59  1  0  0  0  0
 20 21  1  0  0  0  0
 20 60  1  0  0  0  0
 20 61  1  0  0  0  0
 21 22  1  0  0  0  0
 21 62  1  0  0  0  0
 21 63  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 45  1  0  0  0  0
 25 64  1  0  0  0  0
 26 27  1  0  0  0  0
 26 65  1  0  0  0  0
 26 66  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 67  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  2  0  0  0  0
 33 34  2  0  0  0  0
 34 35  2  0  0  0  0
 35 36  2  0  0  0  0
 36 37  2  0  0  0  0
 37 38  2  0  0  0  0
 38 39  2  0  0  0  0
 39 40  2  0  0  0  0
 40 41  2  0  0  0  0
 41 42  2  0  0  0  0
 42 43  2  0  0  0  0
 43 44  2  0  0  0  0
 44 68  1  0  0  0  0
 44 69  1  0  0  0  0
 45 46  1  0  0  0  0
 45 70  1  0  0  0  0
 45 71  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 47 49  1  0  0  0  0
 47 50  1  0  0  0  0
 49 72  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 51 73  1  0  0  0  0
 51 74  1  0  0  0  0
 52 53  1  0  0  0  0
 52 75  1  0  0  0  0
 52 76  1  0  0  0  0
 53 54  1  0  0  0  0
 53 55  1  0  0  0  0
 53 56  1  0  0  0  0
 54 77  1  0  0  0  0
 54 78  1  0  0  0  0
 54 79  1  0  0  0  0
 55 80  1  0  0  0  0
 55 81  1  0  0  0  0
 55 82  1  0  0  0  0
 56 83  1  0  0  0  0
 56 84  1  0  0  0  0
 56 85  1  0  0  0  0
M  END
$$$$