Molecule Editor

Molecule ID: FYI-1015862 Edit

Molecule Structure InChIKey: SBBQDUFLZGOASY-OWOJBTEDSA-N

Molecule Structure SMILES String: O=C(O)c2ccc(/C=C/c1ccc(C(=O)O)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015862
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.5133    1.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1704    1.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4715    0.6726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8346    0.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2394    2.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2812    3.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9181    3.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5817    1.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2449    4.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5377    5.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0670    6.4873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6535    4.4031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1659    5.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8539    5.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6208    3.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    2.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0118    3.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3849    3.0979    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
  2  4  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  1  9  1  0  0  0  0
  1  5  2  0  0  0  0
  7 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  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
 11 19  1  0  0  0  0
 11 15  2  0  0  0  0
 17 20  1  0  0  0  0
 10 20  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015862-3D
FYIcenter.com

 32 33  0     0  0  0  0  0  0999 V2000
    6.5013   -1.3351    0.4474 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4989    1.3359    0.4474 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    0.7549   -0.3365 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9284   -0.7540   -0.3364 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8947    0.3501   -0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9117   -0.3491   -0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4485    0.5071   -0.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4468   -0.5086   -0.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4629   -0.8514    0.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4606    0.8506    0.3991 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7132    1.4015   -0.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7117   -1.4022   -0.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6682    0.0497   -0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6663   -0.0497   -0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8497   -1.0015    0.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8474    1.0013    0.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0999    1.2512   -0.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0984   -1.2513   -0.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1140   -0.1067    0.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1120    0.1073    0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1106    1.5394   -0.0612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1133   -1.5426   -0.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8681   -1.6893    0.7506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8635    1.6860    0.7505 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2886    2.3451   -0.7716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2847   -2.3441   -0.7709 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2508   -1.9517    0.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2481    1.9516    0.7508 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7202    2.0821   -0.7530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7189   -2.0820   -0.7531 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4777   -1.4303    0.4513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4753    1.4314    0.4513 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 31  1  0  0  0  0
  2 20  1  0  0  0  0
  2 32  1  0  0  0  0
  3 19  2  0  0  0  0
  4 20  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 15  1  0  0  0  0
  9 23  1  0  0  0  0
 10 16  1  0  0  0  0
 10 24  1  0  0  0  0
 11 17  2  0  0  0  0
 11 25  1  0  0  0  0
 12 18  2  0  0  0  0
 12 26  1  0  0  0  0
 13 15  2  0  0  0  0
 13 17  1  0  0  0  0
 13 19  1  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 14 20  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END
$$$$