Molecule FYI-1006743

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A

Molecule Summary:

ID: FYI-1006743
Names:
InChIKey: YMJZXOVVRVNBGL-DTWKUNHWSA-N
SMILES: C=CC[C@H](COC)[C@@H](C)C=O

Received at FYIcenter.com on: 2024-01-13

Molecule ID: FYI-1006743 Edit

Molecule Structure InChIKey: YMJZXOVVRVNBGL-DTWKUNHWSA-N

Molecule Structure SMILES String: C=CC[C@H](COC)[C@@H](C)C=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006743
FYIcenter.com

 11 10  0  0  0  0  0  0  0  0999 V2000
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  3  4  1  6  0  0  0
  5  3  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
  5  9  1  6  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006743-3D
FYIcenter.com

 27 26  0  0  1  0  0  0  0  0999 V2000
    7.0881   -1.9336    1.7207 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3439   -0.9411    1.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8871   -1.0717    0.8617 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5847   -0.7494   -0.6225 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0610   -0.7670   -0.8746 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4024    0.1122    0.0391 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9963    0.1261   -0.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3430   -1.6788   -1.6066 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9562   -3.1557   -1.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1775   -1.1719   -3.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3321   -1.5884   -3.8119 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1298   -1.7712    1.9811 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6773   -2.9233    1.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7960    0.0397    1.0805 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3419   -0.3753    1.5106 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5152   -2.0724    1.1121 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9225    0.2831   -0.7983 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8413   -0.4301   -1.8934 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6582   -1.7757   -0.7396 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5265    0.7092    0.6143 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5874   -0.8891   -0.1577 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7721    0.5982   -1.1431 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4210   -1.6148   -1.4110 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9010   -3.3218   -1.7616 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1545   -3.5675   -0.5306 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5381   -3.7424   -2.2448 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8499   -0.3441   -3.3145 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  3  1  0  0  0  0
  4 17  1  6  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
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  1  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 11  2  0  0  0  0
 10 27  1  0  0  0  0
M  END
$$$$

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2024-01-24, 796👍, 0💬