Molecule FYI-1006943

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A

Molecule Summary:

ID: FYI-1006943
Names:
InChIKey: FBWMYSQUTZRHAT-UHFFFAOYSA-N
SMILES: CCCCCC=CCC=CCCCCCCCC(=O)Cl

Received at FYIcenter.com on: 2024-01-23

Molecule ID: FYI-1006943 Edit

Molecule Structure InChIKey: FBWMYSQUTZRHAT-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCC=CCC=CCCCCCCCC(=O)Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1006943
FYIcenter.com

 20 19  0  0  0  0  0  0  0  0999 V2000
    1.1440    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1440    1.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2880    2.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5272    1.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7669    2.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0060    1.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2457    2.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4848    1.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7239    2.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9636    1.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2027    2.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4418    1.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6810    2.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9207    1.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1598    2.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3995    1.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6386    2.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8777    1.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1174    2.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  3  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  3  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006943-3D
FYIcenter.com

 51 50  0     0  0  0  0  0  0999 V2000
    8.8149    0.6597    0.5085 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8322    1.9573   -0.6754 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4656   -0.8676   -0.2854 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5319   -2.0104    0.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8919   -1.1129    0.2107 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0988   -1.7488   -0.3506 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8172    0.0488   -0.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8410   -2.8764    0.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2571   -0.1813    0.2942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3011    2.5338   -0.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8569    2.4395    0.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2400   -2.6345   -0.4061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1643    1.3330    0.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0140    3.6676   -0.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3044   -2.5267    0.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7033   -2.2881   -0.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6327    0.0229   -0.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2495   -0.9845    0.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1991    0.9536   -0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6014    3.6150    0.4356 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4681   -0.7609   -1.3769 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0906    0.0755    0.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8944   -2.9514   -0.3140 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5453   -2.1274    1.2075 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2766   -2.0441   -0.2225 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8886   -1.2389    1.3001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0845   -1.6480   -1.4432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2547   -0.7958    0.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4372    0.9781    0.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8016    0.1924   -1.2525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4907   -3.8290   -0.3339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8197   -2.9771    1.1731 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2747   -0.3013    1.3838 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6416   -1.1014   -0.1612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7655    3.4459    0.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2963    2.6300   -1.3702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8660    2.3123    1.3166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3679    1.5524   -0.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2634    1.3145    1.2190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1752    1.4727   -0.2748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3769   -2.5521   -1.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5087    4.5693    0.2544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9609    3.7701   -1.2162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1673   -2.6206    1.4781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3435   -3.1000    0.2796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7454   -2.3301   -1.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5574   -0.0903   -1.4583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3333   -0.8695    1.4975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6178    3.5544    1.5284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0615    2.7438    0.0514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0454    4.5139    0.1520 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 19  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  8  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  9  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 12  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 19  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 14  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 15  2  3  0  0  0
 12 41  1  0  0  0  0
 13 17  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 20  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 16  1  0  0  0  0
 15 44  1  0  0  0  0
 16 18  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 18  2  3  0  0  0
 17 47  1  0  0  0  0
 18 48  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
 20 51  1  0  0  0  0
M  END
$$$$

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2024-01-31, 219👍, 0💬