Molecule Editor

Molecule ID: FYI-1016201 Edit

Molecule Structure InChIKey: BYDQKMZEOZVIJM-ZCRLHDOISA-N

Molecule Structure SMILES String: C/C=C\C=C\1C(C)=CCCC1(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1016201
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  6  1  0  0  0  0
 13  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016201-3D
FYIcenter.com

 33 33  0     0  0  0  0  0  0999 V2000
    1.2047    1.1323   -0.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4222    0.6729    0.7633 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1056    0.0457   -0.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9588   -0.6929    0.3490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7613    2.4974    0.5026 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6189    1.3660   -1.5472 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5638   -1.3589   -0.0512 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8632   -1.6789    0.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2044    0.3564    0.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4380   -2.4618   -0.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2455   -0.6365    0.0485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5484   -0.3220    0.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0622    1.0802    0.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1329    0.6267    1.8233 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2362    1.4068    0.7016 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6145   -1.0723    1.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5723   -0.6060   -0.5550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0012    2.9815   -0.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3604    2.3899    1.5172 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6074    3.1933    0.5563 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9486    0.4461   -2.0417 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4409    2.0881   -1.6131 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7818    1.7642   -2.1331 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1733   -2.7201    0.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5062    1.3964    0.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0917   -2.3160   -1.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1219   -3.3521   -0.6177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8801   -2.8336    0.6468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2001   -1.6584    0.3422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2813   -1.1113    0.2484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8969    1.5426    1.0955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1428    1.0703   -0.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6211    1.6991   -0.6695 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  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  2  0  0  0  0
  4  8  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8 24  1  0  0  0  0
  9 11  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  2  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
M  END
$$$$