Molecule Editor

Molecule ID: FYI-1014199 Edit

Molecule Structure InChIKey: UDMDYWMMFOGGHR-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(c1ccc(OCC(O)CO)cc1)c2ccc(OCC(O)COCC(O)CO)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014199
FYIcenter.com

 32 33  0  0  0  0  0  0  0  0999 V2000
   10.3995    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   18.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   16.8000    0.0000 O   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  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16  2  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 24  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014199-3D
FYIcenter.com

 66 67  0     1  0  0  0  0  0999 V2000
    4.5891   -0.2977    0.8709 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8197   -0.4334    0.0099 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6519    2.5539   -0.0488 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5065    2.2287   -0.9106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0812    1.2564   -0.0164 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4098    4.2224    0.0779 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7662    3.9082    0.7298 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2938    1.9940   -1.4146 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0504   -3.4548   -0.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2197   -2.5899    0.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3087   -2.6570   -0.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0338   -4.1504   -1.6184 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0420   -4.6571    0.7998 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2249   -2.4746   -0.8770 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3468   -1.9346    1.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3072   -2.9968    0.7576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4876   -1.5712   -1.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3571   -1.7041   -0.6125 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4789   -1.1641    1.5726 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4841   -1.0488    0.6123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4846   -2.2510    0.8133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6649   -0.8253   -0.9568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6634   -1.1652   -0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8650    1.6289    0.2173 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2258    0.3256   -0.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8224    2.5994    0.7605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7225    0.9433   -0.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7985    1.7398    0.3890 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6397    3.4144    0.4532 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4237    3.3736   -0.4652 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.7243    3.2215    0.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8518    1.9658   -0.5698 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0769   -3.4315   -2.4448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8558   -4.7703   -1.7906 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9035   -4.8138   -1.6985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0344   -4.3317    1.8438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7508   -5.3933    0.6195 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0002   -5.1832    0.6998 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1823   -2.9635   -1.8432 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5733   -2.0069    2.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2197   -3.8305    1.4455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7255   -1.2922   -1.7348 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1300   -1.6663   -1.3744 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5716   -0.6537    2.5273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2595   -2.5196    1.5261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7770   -0.0070   -1.6615 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6299    1.4495    0.9799 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0065   -0.3444   -0.6255 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5389    0.5261   -1.0770 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2199    3.6210    0.7689 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5547    2.3120    1.7843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7476    1.3614   -0.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8600    1.0298   -1.4250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7386    1.5834    1.4712 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3599    3.1091    1.4695 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0148    4.4436    0.5143 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6733    3.7473   -1.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8198    2.4432   -1.5651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8703    3.3863   -1.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7639    3.6491    0.3487 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5780    1.2698   -1.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5306    1.5927    0.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1579    1.3775   -0.9783 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1807    3.8892    0.9624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6919    4.8482    0.4921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5946    1.0763   -1.5154 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 25  1  0  0  0  0
  2 23  1  0  0  0  0
  2 27  1  0  0  0  0
  3 26  1  0  0  0  0
  3 29  1  0  0  0  0
  4 24  1  0  0  0  0
  4 58  1  0  0  0  0
  5 28  1  0  0  0  0
  5 63  1  0  0  0  0
  6 30  1  0  0  0  0
  6 64  1  0  0  0  0
  7 31  1  0  0  0  0
  7 65  1  0  0  0  0
  8 32  1  0  0  0  0
  8 66  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 18  1  0  0  0  0
 14 39  1  0  0  0  0
 15 19  2  0  0  0  0
 15 40  1  0  0  0  0
 16 21  1  0  0  0  0
 16 41  1  0  0  0  0
 17 22  2  0  0  0  0
 17 42  1  0  0  0  0
 18 20  2  0  0  0  0
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 19 44  1  0  0  0  0
 21 23  2  0  0  0  0
 21 45  1  0  0  0  0
 22 23  1  0  0  0  0
 22 46  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 28  1  0  0  0  0
 27 52  1  0  0  0  0
 27 53  1  0  0  0  0
 28 31  1  0  0  0  0
 28 54  1  0  0  0  0
 29 30  1  0  0  0  0
 29 55  1  0  0  0  0
 29 56  1  0  0  0  0
 30 32  1  0  0  0  0
 30 57  1  0  0  0  0
 31 59  1  0  0  0  0
 31 60  1  0  0  0  0
 32 61  1  0  0  0  0
 32 62  1  0  0  0  0
M  END
$$$$