Molecule Editor

Molecule ID: FYI-1016659 Edit

Molecule Structure InChIKey: ZBOSCNSITZCXAO-BQBZGAKWSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1016659
FYIcenter.com

  8  7  0  0  0  0  0  0  0  0999 V2000
    3.6475    2.1689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8870    1.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1759    2.0645    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4779    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2185    2.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5171    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8708    0.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  5  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  1  0  0  0
  2  8  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016659-3D
FYIcenter.com

 24 23  0  0  1  0  0  0  0  0999 V2000
    2.7793    5.9353   -1.9571 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3659    4.8859   -0.9353 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8609    3.4592   -1.2734 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2437    2.4656   -0.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4045    3.3780   -1.2617 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0219    2.0134   -1.6194 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5444    2.0697   -1.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6050    1.5107   -3.3275 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3149    6.8978   -1.7086 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4583    5.6538   -2.9627 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8582    6.0955   -1.9619 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2686    4.8791   -0.8856 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7228    5.1817    0.0580 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4831    3.2130   -2.2709 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7257    2.5328    0.7028 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3482    1.4372   -0.6396 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1724    2.6509   -0.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7572    3.6645   -0.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8145    4.1284   -1.9477 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6477    1.2367   -0.9464 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9691    2.9143   -2.0432 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0212    1.1494   -1.8458 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8277    2.1934   -0.4363 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1821    2.5534   -3.9427 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3  2  1  0  0  0  0
  3 14  1  6  0  0  0
  4 15  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
  6  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6  5  1  0  0  0  0
  6 20  1  1  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
M  END
$$$$