Molecule Editor

Molecule ID: FYI-1016083 Edit

Molecule Structure InChIKey: JCWOUXCFVBTLCQ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c2ccc(C(O)NCNC(O)c1ccccc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016083
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.2125    2.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    6.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    7.0005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    6.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    7.0002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2749    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.8000    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
    6.0618    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8493    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2742    0.0000    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
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016083-3D
FYIcenter.com

 40 41  0  0  1  0  0  0  0  0999 V2000
    2.4858    0.4126   -1.0477 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1312   -0.2112   -0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9249   -0.0507    0.5239 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0035   -1.1874    0.6337 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3862   -0.9712    0.6376 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2378   -1.8769    1.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7196   -3.0192    1.9135 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6426   -3.9856    2.6366 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7634   -3.5108    3.9586 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1092   -5.3370    2.6445 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9880   -6.2660    3.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3061   -7.5407    3.2505 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0887   -8.5846    3.8913 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2758   -8.2670    5.2539 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4134   -9.9425    3.8507 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2014  -11.1056    3.8254 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6124  -12.3707    3.8779 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2275  -12.4923    3.9642 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4299  -11.3506    3.9931 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0178  -10.0847    3.9399 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3255   -3.2167    1.9036 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4756   -2.3233    1.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8359   -0.4652    1.4027 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8025   -0.0941    0.1447 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3079   -1.6819    1.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6308   -3.9674    2.1601 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -3.7771    4.3758 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0027   -5.6326    1.6793 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1263   -5.9643    4.3588 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9668   -6.3110    2.8223 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1838   -7.8022    2.2778 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0722   -8.6598    3.4110 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3731   -8.1111    5.5793 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2865  -11.0303    3.7901 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2363  -13.2608    3.8691 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7704  -13.4767    4.0211 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3499  -11.4440    4.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3787   -9.2049    3.9852 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8944   -4.0848    2.4000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4124   -2.5468    1.2211 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  4  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  2  0  0  0  0
  5  6  2  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  2  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  1  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
M  END
$$$$