Molecule Editor

Molecule ID: FYI-1007263 Edit

Molecule Structure InChIKey: TUAHORSUHVUKBD-UHFFFAOYSA-N

Molecule Structure SMILES String: c1ccc4c(c1)ccc3ccc2ccccc2c34

Download SDF Download SVG Structure in 2D SDF:

FYI-1007263
FYIcenter.com

 18 21  0  0  0  0  0  0  0  0999 V2000
    3.6176    6.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6176    4.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    4.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    2.7848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6176    2.0886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0074    2.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2062    1.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0291    0.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8233    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6176    0.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2058    0.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2058    2.0886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2058    4.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2058    6.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    6.9619    0.0000 C   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  1  0  0  0  0
  5  4  1  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
 10  5  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13  4  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16  3  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007263-3D
FYIcenter.com

 30 33  0     0  0  0  0  0  0999 V2000
    0.0000   -0.3310    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3194    0.3108   -0.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3196    0.3108    0.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.7546    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4971   -0.4695    0.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4972   -0.4695   -0.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1820   -2.4851    0.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1820   -2.4852   -0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4082   -1.8513    0.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083   -1.8513   -0.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5594    1.6822   -0.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5595    1.6820    0.3284 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7752    0.1168    0.1559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7750    0.1168   -0.1567 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8347    2.2600   -0.3144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8347    2.2600    0.3145 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9438    1.4791   -0.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9436    1.4791    0.0485 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1648   -3.5736    0.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1647   -3.5737   -0.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2995   -2.4635    0.3672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2995   -2.4635   -0.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7553    2.3443   -0.6294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7555    2.3439    0.6306 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6623   -0.4940    0.3166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6621   -0.4938   -0.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9512    3.3184   -0.5289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9513    3.3183    0.5292 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9364    1.9176   -0.0373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9362    1.9177    0.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2 11  2  0  0  0  0
  3  6  1  0  0  0  0
  3 12  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 13  2  0  0  0  0
  6 10  1  0  0  0  0
  6 14  2  0  0  0  0
  7  9  2  0  0  0  0
  7 19  1  0  0  0  0
  8 10  2  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 15  1  0  0  0  0
 11 23  1  0  0  0  0
 12 16  1  0  0  0  0
 12 24  1  0  0  0  0
 13 17  1  0  0  0  0
 13 25  1  0  0  0  0
 14 18  1  0  0  0  0
 14 26  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 18  2  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
$$$$