Molecule FYI-1005903

A

Molecule Summary:

ID: FYI-1005903
Names: GERANYL ACETATE;
InChIKey: HIGQPQRQIQDZMP-DHZHZOJOSA-N
SMILES: CC(=CCCC(=CCOC(=O)C)C)C

Received at FYIcenter.com on: 2023-11-20

Molecule ID: FYI-1005903 Edit

Molecule Names: GERANYL ACETATE;

Molecule Structure InChIKey: HIGQPQRQIQDZMP-DHZHZOJOSA-N

Molecule Structure SMILES String: CC(=CCCC(=CCOC(=O)C)C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1005903
FYIcenter.com

 34 33  0     0  0  0  0  0  0999 V2000
    3.7320    0.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9703   -0.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3503    0.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1742   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4142   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  2 13  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 19  1  0  0  0  0
  7 10  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005903-3D
FYIcenter.com

 34 33  0     0  0  0  0  0  0999 V2000
    2.1420    0.2169   -0.3239 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3436    0.0123    0.3454 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8522   -2.1036   -0.4466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9334   -1.0721   -0.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4704   -1.7297    0.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6427    0.2867   -0.6726 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6032   -1.5348   -0.7430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3354   -1.6123    1.5442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5727    1.4653   -0.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0005   -1.1974   -0.3303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2754    2.7320   -0.7828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7558    1.6572    1.4532 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3737    0.6907    0.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3751    2.1889   -0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1311   -3.0740   -0.0173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8325   -2.2491   -1.5348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0892   -1.0516    0.9831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8831   -1.4170   -0.5264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4954    0.2907   -1.7523 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4567   -1.6223   -1.8187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6353   -2.5534    2.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9812   -0.8176    1.9282 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6701   -1.3816    1.8993 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6899   -1.6255   -1.0687 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2705   -1.6194    0.6422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3584    3.1941   -0.4023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1372    2.5558   -1.8548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0983    3.4449   -0.6673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5484    2.3898    1.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0317    0.7471    1.9880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8292    2.0336    1.8993 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6326    2.5780    0.6981 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1636    2.5333   -1.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3610    2.5587    0.2927 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  2 13  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 19  1  0  0  0  0
  7 10  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-25, 584👍, 0💬