Molecule FYI-1009867

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A

Molecule Summary:

ID: FYI-1009867
Names:
InChIKey: UZFLPKAIBPNNCA-BQYQJAHWSA-N
SMILES: CC(=O)/C=C/C1C(C)=CCCC1(C)C

Received at FYIcenter.com on: 2024-05-19

Molecule ID: FYI-1009867 Edit

Molecule Structure InChIKey: UZFLPKAIBPNNCA-BQYQJAHWSA-N

Molecule Structure SMILES String: CC(=O)/C=C/C1C(C)=CCCC1(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1009867
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13  6  1  0  0  0  0
 14  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009867-3D
FYIcenter.com

 34 34  0     1  0  0  0  0  0999 V2000
   -3.3167    0.0257    1.4638 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4047    1.1448   -0.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5007   -0.1002   -0.5860 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0192    0.9926    1.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8163   -0.3036    1.3074 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1966   -1.4163   -0.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5291    1.2533   -1.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6075    2.4660   -0.3362 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2315   -1.4852    0.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8296   -0.0556    0.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6812   -2.6435   -0.9631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0034   -0.0071   -0.5233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2837    0.0374    0.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5533    0.0917   -0.5735 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3196   -0.0882   -1.6713 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2224    1.0162    1.8912 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6716    1.8449    1.3659 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9001   -0.5317    2.3763 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8386   -0.1547    0.9393 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2033    2.0868   -1.1067 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1400    0.3481   -1.4014 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1085    1.4329   -2.3315 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2710    3.3301   -0.2130 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0969    2.5745   -1.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1455    2.5290    0.4565 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7075   -2.4434    0.7859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8094   -0.0677    1.2075 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7347   -2.5111   -2.0486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3595   -2.8391   -0.6867 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2630   -3.5365   -0.7108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0533    0.0029   -1.6062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1652    0.9275   -0.2233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0973   -0.8484   -0.4514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3464    0.2442   -1.6361 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  9  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 12  2  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  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
$$$$

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2024-05-29, 725👍, 0💬