Molecule FYI-1008234

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A

Molecule Summary:

ID: FYI-1008234
Names:
InChIKey: TYRGOQBOCSNLBX-UHFFFAOYSA-N
SMILES: CCOC(=O)C2CCC1CCCCC1(C)C2=O

Received at FYIcenter.com on: 2024-04-25

Molecule ID: FYI-1008234 Edit

Molecule Structure InChIKey: TYRGOQBOCSNLBX-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)C2CCC1CCCCC1(C)C2=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1008234
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    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
    3.6373    1.4000    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
    4.8497    2.1000    0.0000 O   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  2  0  0  0  0
  6  4  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
 10  9  1  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
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 16  6  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008234-3D
FYIcenter.com

 39 40  0  0  1  0  0  0  0  0999 V2000
    3.9842    1.3614    2.3973 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4613    2.2292    1.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3865    2.2589    0.1706 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9837    1.6790   -0.9942 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0046    0.9517   -1.1100 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8530    2.1397   -2.1464 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4148    1.5847   -3.5071 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9537    0.1887   -3.8326 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4742    0.1163   -3.6301 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0409   -1.2507   -4.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5641   -1.2927   -3.9057 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0654   -0.8148   -2.5454 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4381    0.5163   -2.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8908    0.5010   -2.1886 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3493   -0.4533   -1.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3328    1.9125   -1.9257 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0578    2.8399   -1.5546 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3130    1.4152    3.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9817    1.6846    2.7114 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0646    0.3164    2.0832 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3693    3.2614    1.6236 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4610    1.9033    0.9669 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6930    3.2243   -2.1951 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7743    2.2722   -4.2847 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3211    1.5774   -3.5922 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7123   -0.0408   -4.8785 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4393   -0.5649   -3.2272 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9108    0.8588   -4.3175 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7747   -1.4664   -5.0822 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5935   -2.0480   -3.4352 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0079   -0.6627   -4.6863 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9200   -2.3135   -4.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1561   -0.7073   -2.5766 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8611   -1.5809   -1.7893 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8266    1.3047   -2.7871 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7767    0.7759   -1.1161 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7815   -1.4540   -1.1703 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2671   -0.5905   -1.1688 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5655   -0.0635   -0.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
$$$$

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2024-07-11, 1703👍, 0💬