Molecule Editor

Molecule ID: FYI-1016781 Edit

Molecule Structure InChIKey: MEZZCSHVIGVWFI-UHFFFAOYSA-N

Molecule Structure SMILES String: COc2ccc(C(=O)c1ccccc1O)c(O)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016781
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.7001    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
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  8 14  1  0  0  0  0
  8 10  2  0  0  0  0
  3 15  1  0  0  0  0
 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016781-3D
FYIcenter.com

 30 31  0     0  0  0  0  0  0999 V2000
   -4.4307    0.9777   -0.0562 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5441   -2.8071    0.1504 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9498   -2.3600    0.2342 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0564   -0.2717   -2.1948 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6156   -0.5958    0.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9100   -0.2474    0.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7569   -1.1367    0.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7020   -1.4541    0.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7798    0.7788    0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1735    0.4594    0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9905   -0.9227    0.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5218    0.1559   -0.9873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0681    1.3101    0.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4027    0.2005    1.4253 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6262    1.0074   -0.9484 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5071    1.0517    1.4641 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1189    1.4550    0.2775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5456    2.3991   -0.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0472    1.4809    0.0804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8574   -1.5787    0.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1390    2.3920   -0.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9353   -0.1072    2.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1128    1.3297   -1.8650 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8908    1.4003    2.4185 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9788    2.1178    0.3079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4196   -3.2303    0.1334 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6044    0.1120   -2.9006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6138    2.6357   -0.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0897    2.8110   -1.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1522    2.8638    0.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 18  1  0  0  0  0
  2  8  1  0  0  0  0
  2 26  1  0  0  0  0
  3  7  2  0  0  0  0
  4 12  1  0  0  0  0
  4 27  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  2  0  0  0  0
  8 11  1  0  0  0  0
  9 13  2  0  0  0  0
  9 19  1  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 20  1  0  0  0  0
 12 15  2  0  0  0  0
 13 21  1  0  0  0  0
 14 16  1  0  0  0  0
 14 22  1  0  0  0  0
 15 17  1  0  0  0  0
 15 23  1  0  0  0  0
 16 17  2  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END
$$$$