Molecule FYI-1004206

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A

Molecule Summary:

ID: FYI-1004206
Names:
InChIKey: GWHRSRIPLDHJHR-UHFFFAOYSA-N
SMILES: C=CC1(C)CCC(C(C)C)C(=O)C1C(=C)C

Received at FYIcenter.com on: 2023-08-22

Molecule ID: FYI-1004206 Edit

Molecule Structure InChIKey: GWHRSRIPLDHJHR-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC1(C)CCC(C(C)C)C(=O)C1C(=C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1004206
FYIcenter.com

 16 16  0  0  0  0  0  0  0  0999 V2000
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    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
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  2  0  0  0  0
 11  8  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
 16 15  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004206-3D
FYIcenter.com

 40 40  0     1  0  0  0  0  0999 V2000
   -0.5541    1.6588   -1.4571 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0128   -0.9709    0.4283 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7298   -0.2743   -0.6842 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5041    0.4992    0.4037 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1976   -1.9344    0.5107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2193   -1.7131   -0.6074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5660    0.7060   -0.6764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7112    0.0691    0.4319 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8959   -1.2025    1.6731 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5905    1.5227    0.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8368   -1.3089   -0.7958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2359    1.4937    0.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8670   -0.9289    0.4572 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7198    2.5189    1.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4001    1.5452   -0.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207   -1.6806   -0.7545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2358   -0.1628   -1.6536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0116    0.6939    1.3548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6993   -1.8198    1.4801 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1456   -2.9770    0.4696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7486   -1.9597   -1.5676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0302   -2.4410   -0.5148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2168    0.0229    1.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3238   -0.9751    2.5822 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2129   -2.2482    1.7724 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7810   -0.5569    1.7075 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3628   -1.2514   -1.7726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6932    1.6399   -0.7182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9978    1.7148    1.0224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4436    2.2380    0.3923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3064   -1.0642   -0.5368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6631   -0.5794    1.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5564   -1.9051    0.8412 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7924    3.0911    1.4742 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9266    2.0089    2.3134 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5316    3.2324    1.1902 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1842    2.2940   -0.8878 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2851    0.9172   -1.6876 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6288   -1.9046   -1.6887 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7238   -1.7831    0.1368 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 17  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-10, 1701👍, 0💬