Molecule Editor

Molecule ID: FYI-1016661 Edit

Molecule Structure InChIKey: RWGFKTVRMDUZSP-UHFFFAOYSA-N

Molecule Structure SMILES String: C[C@@H](C)c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016661
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    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
    1.2124    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
    3.4378    3.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3465    4.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7421    2.5579    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  6  0  0  0
  7  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016661-3D
FYIcenter.com

 21 21  0     0  0  0  0  0  0999 V2000
    1.7555    0.3067    0.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2786    0.1405    0.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125    0.7456   -1.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4480   -0.9626    0.7802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5683    1.2207    0.3726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2558   -1.0950   -0.2412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9496    1.0652    0.2559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6371   -1.2505   -0.3578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4840   -0.1705   -0.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9503    1.0923    0.9920 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2688   -0.0061   -1.8577 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4887    0.8980   -0.9399 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9798    1.6865   -1.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9585   -1.3378    1.6858 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4889   -0.7364    1.0398 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4770   -1.7678    0.0384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1655    2.1896    0.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3688   -1.9540   -0.4634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6091    1.9063    0.4485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0534   -2.2111   -0.6469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5594   -0.2912   -0.2015 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  1  0  0  0  0
  1 10  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  2  0  0  0  0
  6 18  1  0  0  0  0
  7  9  2  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
M  END
$$$$