Molecule Editor

Molecule ID: FYI-1017403 Edit

Molecule Structure InChIKey: VEVZSMAEJFVWIL-UHFFFAOYSA-O

Molecule Structure SMILES String: Oc3cc(O)c2cc(O)c(c1ccc(O)c(O)c1)[o+]c2c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1017403
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    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
    2.4249    1.4000    0.0000 C   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
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    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
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    7.2746    9.7999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    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
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 15 10  1  0  0  0  0
 16 15  2  0  0  0  0
 16  7  1  0  0  0  0
 17 13  1  0  0  0  0
 18 11  1  0  0  0  0
 19  8  1  0  0  0  0
 20  4  1  0  0  0  0
 21  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1017403-3D
FYIcenter.com

 32 34  0     0  0  0  0  0  0999 V2000
    0.4531   -0.8154   -0.0948 O   0  3  0  0  0  0  0  0  0  0  0  0
   -0.7701    2.6724    0.0653 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3271    2.1069    0.1359 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8931   -2.6149    0.0089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6405   -0.5518    2.0197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8811   -0.6447   -0.4647 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3770    0.6936    0.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3355    0.2228   -0.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8423   -0.5976   -0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7967   -0.0056   -0.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1365    1.6405   -0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4612    1.8286    0.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7633    0.8666    0.0765 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6868   -1.7083   -0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5404   -0.1729    0.9629 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0685   -1.5320    0.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4104   -0.0510   -1.4465 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6061   -0.2462    0.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9158   -0.3885    0.8778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7859   -0.2668   -1.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5386   -0.4355   -0.3694 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8384    2.8388    0.1471 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2548   -2.7043   -0.0838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0569   -0.1372    1.9360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8316    0.0789   -2.3569 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6843   -0.1114    0.1111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2582   -0.3011   -2.5096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6735    2.3231    0.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7356    2.7673   -0.2566 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3525   -3.4224   -0.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5718   -0.6899    1.7738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1356   -0.6459   -1.4034 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  2 11  1  0  0  0  0
  2 28  1  0  0  0  0
  3 13  1  0  0  0  0
  3 29  1  0  0  0  0
  4 16  1  0  0  0  0
  4 30  1  0  0  0  0
  5 19  1  0  0  0  0
  5 31  1  0  0  0  0
  6 21  1  0  0  0  0
  6 32  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  2  0  0  0  0
 10 17  1  0  0  0  0
 11 12  2  0  0  0  0
 12 22  1  0  0  0  0
 13 18  1  0  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 15 19  1  0  0  0  0
 15 24  1  0  0  0  0
 16 18  2  0  0  0  0
 17 20  2  0  0  0  0
 17 25  1  0  0  0  0
 18 26  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 20 27  1  0  0  0  0
M  END
$$$$