Molecule FYI-1002071

Home > Molecule

A

Molecule Summary:

ID: FYI-1002071
Names:
InChIKey: YUWFEBAXEOLKSG-UHFFFAOYSA-N
SMILES: Cc1c(C)c(C)c(C)c(C)c1C

Received at FYIcenter.com on: 2023-01-25

Molecule ID: FYI-1002071 Edit

Molecule Structure InChIKey: YUWFEBAXEOLKSG-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1c(C)c(C)c(C)c(C)c1C

Download SDF Download SVG Structure in 2D SDF:

FYI-1002071
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2000    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
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    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
    0.0000    4.2000    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
    0.0000    1.4000    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
    2.4249    0.0000    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
    4.8497    1.4000    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  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  2  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002071-3D
FYIcenter.com

 30 30  0     0  0  0  0  0  0999 V2000
    1.3893   -0.1245   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8023    1.1409   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5870   -1.2655   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5869    1.2653   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8023   -1.1410   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3893    0.1244   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8797   -0.2578    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6633    2.3649    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2166   -2.6227    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2167    2.6231    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6634   -2.3648    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8796    0.2577    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3730    0.5590   -0.5360 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2590   -0.2918    1.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2202   -1.1492   -0.5361 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8833    2.6765   -1.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2023    3.2005    0.5364 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6050    2.2137    0.5375 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1706   -2.6412    0.5367 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6149   -3.3628    0.5372 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3769   -2.9690   -1.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6149    3.3636   -0.5357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1709    2.6419   -0.5356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3767    2.9681    1.0269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8834   -2.6751    1.0269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6050   -2.2140   -0.5367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2025   -3.2011   -0.5344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2197    1.1490    0.5369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2597    0.2917   -1.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3726   -0.5591    0.5369 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  2  0  0  0  0
  3  9  1  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-01-25, 363👍, 0💬