Molecule FYI-1011378

Home > Molecule

A

Molecule Summary:

ID: FYI-1011378
Names:
InChIKey: WTTJVINHCBCLGX-ZDVGBALWSA-N
SMILES: CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC

Received at FYIcenter.com on: 2024-08-06

Molecule ID: FYI-1011378 Edit

Molecule Structure InChIKey: WTTJVINHCBCLGX-ZDVGBALWSA-N

Molecule Structure SMILES String: CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1011378
FYIcenter.com

 21 20  0  0  0  0  0  0  0  0999 V2000
   23.0363    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    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
    3.6373    2.1000    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   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  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  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
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011378-3D
FYIcenter.com

 55 54  0     0  0  0  0  0  0999 V2000
    4.3072   -1.0352   -1.4329 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2400   -0.5607    0.5561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4043   -3.0550    0.7176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6837   -2.4636    0.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8242   -2.6698   -0.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9075   -2.8226    0.9707 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1074   -3.2343    0.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2175   -2.2737    0.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3565   -2.8421   -0.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1244    2.9095    0.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2704    3.4756    0.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2528   -0.7735    0.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1315    3.3788   -0.4596 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3036    3.0939    1.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4705   -0.0693   -0.7731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5021    1.4303   -0.8238 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5994   -1.3492   -0.3075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4927    2.7989   -0.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1371    2.0025   -1.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6734    3.7116    1.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6420    0.3480   -1.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2803   -2.6958    1.7465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4895   -4.1474    0.7639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5763   -1.3746    0.0567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8220   -2.8381   -0.8995 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7128   -3.0485   -1.1323 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8803   -1.5774   -0.1752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9900   -3.9141    1.0441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7682   -2.4473    1.9926 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2014   -2.8814    1.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0426   -4.3283    0.5478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0467   -2.6133    1.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3861   -2.7029   -0.5983 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2544   -3.2067   -1.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2399   -3.3143    0.1627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4559    3.2257    1.5906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0754    1.8133    0.6041 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6168    3.1255   -0.6649 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2089    4.5695    0.2572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1070   -0.2470    1.2878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7733    3.1055   -1.4596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2097    4.4723   -0.4371 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9424    3.4080    2.3642 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4044    2.0031    1.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6121   -0.5937   -1.7151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1770    1.7457   -1.6281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9312    1.8270    0.1050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9682    3.0586    0.7365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6639    1.7522   -2.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6148    4.8046    1.1465 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3692    3.4044    1.9299 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0846    3.3922    0.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1946    0.4640   -2.5206 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2788    0.6761   -0.7573 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7327    0.9548   -1.6355 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 21  1  0  0  0  0
  2 17  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  6  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  7  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  8  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  9  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 12  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 17  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 14  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 15  2  0  0  0  0
 12 40  1  0  0  0  0
 13 18  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 20  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 16  1  0  0  0  0
 15 45  1  0  0  0  0
 16 19  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 18 19  2  0  0  0  0
 18 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 50  1  0  0  0  0
 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
 21 53  1  0  0  0  0
 21 54  1  0  0  0  0
 21 55  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-08-14, 1191👍, 0💬