Molecule FYI-1000185

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A

Molecule Summary:

ID: FYI-1000185
SMILES: CC/C=C\\CC/C=C/C=O

Received at FYIcenter.com on: 2020-11-09

Molecule ID: FYI-1000185 Edit

Molecule Structure SMILES String: CC/C=CCC/C=C/C=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000185
FYIcenter.com

 24 23  0  0  0  0  0  0  0  0999 V2000
    4.2354    1.4942    0.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9235    1.0202   -0.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0057   -0.4583   -0.5445 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0689   -1.2613   -0.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8266   -0.6925    0.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4100   -1.2579   -0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6523   -0.6892    0.4659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5602   -0.0636   -0.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7659    0.4883    0.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5914    1.0570   -0.3525 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1759    2.5636    0.5658 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4062    0.9570    1.2966 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0587    1.2996   -0.3237 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1002    1.2148    0.4223 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7527    1.5574   -1.1979 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8370   -0.8560   -1.1077 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1868   -2.3308   -0.1972 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8016   -0.9642    1.5868 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8340    0.3932    0.4359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3850   -0.9863   -1.2253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4173   -2.3437   -0.0744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8078   -0.7879    1.5300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4047    0.0350   -1.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9215    0.3897    1.3952 H   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
  3  4  2  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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3 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 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000185-3D
FYIcenter.com

 24 23  0  0  0  0  0  0  0  0999 V2000
    3.4409   -1.7708    1.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9614   -0.8387    0.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4800   -1.2726   -0.8522 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2587   -0.5106   -1.6357 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7811   -0.9533   -2.9735 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125   -0.9620   -2.9942 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8479   -1.4300   -4.3209 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6274   -2.5138   -4.4455 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1387   -2.9430   -5.7622 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8501   -3.9321   -5.8750 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0538   -1.4414    2.5586 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5346   -1.7847    1.6474 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0961   -2.7964    1.4185 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2775    0.1851    0.7187 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8660   -0.8384    0.4593 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1892   -2.2677   -1.1846 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5403    0.4884   -1.3074 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3981   -0.2683   -3.7400 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4017   -1.9524   -3.2237 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6881   -1.6000   -2.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6959    0.0478   -2.8022 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5780   -0.8342   -5.1907 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9213   -3.1266   -3.6012 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8443   -2.3266   -6.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  2  3  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  2  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  2  0  0  0  0
  9 24  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2020-12-02, 3197👍, 0💬