Molecule Editor

Molecule ID: FYI-1013650 Edit

Molecule Structure InChIKey: AASPCUDJLOZQDA-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C3OCCCCOC(=O)c1ccc(cc1)C(=O)OCCOC(=O)c2ccc(cc2)C(=O)OCCCCOC(=O)c4ccc3cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1013650
FYIcenter.com

 46 49  0  0  0  0  0  0  0  0999 V2000
    9.6824   10.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6824   11.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5612   12.2924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4400   11.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4400   10.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5612    9.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3189    9.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1977   10.3505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3189    8.4086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8035   12.2924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9246   11.6451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8035   13.5870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9246   10.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0458    9.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1670    7.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1670    6.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2882    5.8194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2882    4.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4093    3.8775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1670    3.8775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0458    4.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9246    3.8775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9246    2.5829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0458    1.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1670    2.5829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8035    1.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6824    2.5829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8035    0.6410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6575    1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3191    2.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2942    1.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9558    1.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9310    0.5431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5926    0.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5677    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2790    2.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3039    3.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9904    4.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6519    5.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6271    4.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9406    2.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3384    6.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3633    7.3653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7017    6.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7266    7.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  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  2  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 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
 14 15  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 36 41  1  0  0  0  0
 36 37  2  0  0  0  0
 39 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
 43 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013650-3D
FYIcenter.com

 78 81  0  0  0  0  0  0  0  0999 V2000
    5.6492    2.5814   -9.7259 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2400    1.5143   -9.5004 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8410    0.8262  -10.7527 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9555    1.5335  -12.3523 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4654    0.9244  -14.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8128    1.1299  -15.9428 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3092    0.1212  -17.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5209   -0.9145  -18.3197 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7871   -2.1592  -18.3686 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8303   -2.8720  -19.3706 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9570   -2.5301  -17.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9695   -3.5306  -17.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0772   -3.6196  -15.9911 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1983   -2.7180  -14.9238 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3311   -1.9751  -14.8068 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1290   -1.8724  -15.9108 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2084   -2.4037  -13.8865 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -3.2712  -13.1584 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9576   -1.0690  -13.7006 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2378    0.0454  -14.6238 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4293    1.2295  -14.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5783    2.4345  -14.8719 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0349    3.6571  -14.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3195    4.6140  -15.3118 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1377    3.8982  -13.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8214    5.2308  -13.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1208    5.5501  -11.8749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250    4.5333  -11.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2341    3.2179  -11.4727 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5679    2.9077  -12.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7999    4.8466   -9.7095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6493    5.6873   -9.4903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2463    4.1667   -8.6223 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9281    3.3491   -8.7865 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2726    2.5914   -7.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1201    1.3676   -7.8827 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0786    0.3084   -6.7858 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0118   -0.7522   -7.0723 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0091   -1.1647   -6.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3942   -2.3392   -6.2720 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8454   -0.1369   -5.4888 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1920   -0.3375   -5.7032 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8074    0.2654   -6.8912 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0592    1.0541   -7.8007 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1354    1.7539   -6.9496 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5989    1.1880   -5.7340 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7704    2.2175  -12.1253 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0016    2.0651  -12.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8298    1.7941  -14.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5065    1.2747  -13.9074 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9056    1.1765  -16.0642 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4348    2.1170  -16.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2275    0.2305  -17.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9558   -0.5740  -16.7356 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8655   -4.2222  -17.9378 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2914   -4.3717  -15.9730 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5372   -1.3196  -13.9680 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8219   -1.1069  -15.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9122   -0.2181  -15.6431 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2848    0.3317  -14.6359 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7612    1.4245  -13.0577 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3922    0.8790  -14.1566 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1556    6.0486  -13.6915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0506    6.5908  -11.6047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6734    2.4007  -10.9020 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7245    1.8498  -12.6821 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7660    3.9553   -9.1399 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7139    2.5622   -9.4990 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3570    2.2749   -7.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8131    3.2462   -6.8211 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1236    1.6984   -8.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7846    0.8929   -8.8133 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0859   -0.1501   -6.7995 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1986    0.7227   -5.7838 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7739   -0.4872   -4.7781 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7897    0.6715   -6.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7852    2.7602   -7.1683 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9512    1.7265   -5.0341 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 44  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 47  1  0  0  0  0
  4 48  1  0  0  0  0
  5  6  1  0  0  0  0
  5 49  1  0  0  0  0
  5 50  1  0  0  0  0
  6  7  1  0  0  0  0
  6 51  1  0  0  0  0
  6 52  1  0  0  0  0
  7  8  1  0  0  0  0
  7 53  1  0  0  0  0
  7 54  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 55  1  0  0  0  0
 13 14  1  0  0  0  0
 13 56  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15 57  1  0  0  0  0
 16 58  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 59  1  0  0  0  0
 20 60  1  0  0  0  0
 21 22  1  0  0  0  0
 21 61  1  0  0  0  0
 21 62  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 30  2  0  0  0  0
 26 27  2  0  0  0  0
 26 63  1  0  0  0  0
 27 28  1  0  0  0  0
 27 64  1  0  0  0  0
 28 29  2  0  0  0  0
 28 31  1  0  0  0  0
 29 30  1  0  0  0  0
 29 65  1  0  0  0  0
 30 66  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 67  1  0  0  0  0
 34 68  1  0  0  0  0
 35 36  1  0  0  0  0
 35 69  1  0  0  0  0
 35 70  1  0  0  0  0
 36 37  1  0  0  0  0
 36 71  1  0  0  0  0
 36 72  1  0  0  0  0
 37 38  1  0  0  0  0
 37 73  1  0  0  0  0
 37 74  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 46  2  0  0  0  0
 42 43  2  0  0  0  0
 42 75  1  0  0  0  0
 43 44  1  0  0  0  0
 43 76  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 45 77  1  0  0  0  0
 46 78  1  0  0  0  0
M  END
$$$$