Molecule FYI-1003542

A

Molecule Summary:

ID: FYI-1003542
Names:
InChIKey: GFLZVIUGJVSYJX-LZYCVMHZSA-N
SMILES: C=C2CCC1C(C)(C)CCC[C@]1(C)[C@H]2C/C=C\\3CCOC3=O

Received at FYIcenter.com on: 2023-06-29

Molecule ID: FYI-1003542 Edit

Molecule Structure InChIKey: GFLZVIUGJVSYJX-LZYCVMHZSA-N

Molecule Structure SMILES String: C=C2CCC1C(C)(C)CCC[C@]1(C)[C@H]2C/C=C\3CCOC3=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003542
FYIcenter.com

 22 24  0  0  1  0  0  0  0  0999 V2000
    8.4655    6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7655    7.7416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    7.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.6457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    0.9291    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
  7  8  1  6  0  0  0
  9  7  1  0  0  0  0
  9  2  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
 13  7  1  0  0  0  0
 13 14  1  6  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 16  1  0  0  0  0
 21 20  2  0  0  0  0
 22 12  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003542-3D
FYIcenter.com

 52 54  0  0  1  0  0  0  0  0999 V2000
    0.9914   -0.2456   -0.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0888   -0.0040    0.6403 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7714   -1.1786    1.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2607   -1.2315    0.9802 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9723    0.0735    1.3743 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5467   -0.0205    1.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1396   -1.0633    2.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0408   -0.4909   -0.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1697    1.3355    1.7065 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5134    2.5866    1.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9922    2.5887    1.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3131    1.3393    0.6630 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5521    1.3947   -0.8668 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7245    1.3709    0.9277 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0327    2.5890    0.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5685    2.8296    0.4894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3396    3.2844   -0.4013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8004    3.4014   -0.1736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3206    3.3179   -1.5875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2879    3.8297   -2.4286 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0835    3.7206   -1.8004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9905    3.9863   -2.3065 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5943   -1.2516   -0.2081 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4301    0.5231   -0.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3245   -2.1276    0.9742 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6185   -1.1201    2.3823 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4083   -1.4528   -0.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6773   -2.0778    1.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7658    0.2049    2.4500 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9897   -0.7711    3.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2232   -1.1596    2.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7151   -2.0620    2.1304 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3287   -0.3422   -0.9273 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2246   -1.5732   -0.1320 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9777   -0.0013   -0.4057 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2441    1.3546    1.4781 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0993    1.4175    2.8004 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8037    2.7214    0.0985 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9170    3.4626    1.6713 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6188    3.5123    0.8375 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7390    2.6453    2.3581 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6090    1.4540   -1.1330 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1394    2.3066   -1.3081 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1121    0.5395   -1.3827 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5880    1.5354    2.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5480    3.5130    0.4871 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1524    2.4544   -0.8704 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2296    2.5666    1.4936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0352    4.3763    0.2675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2204    2.6115    0.4544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2271    3.9178   -1.7210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5412    2.2884   -1.8934 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 29  1  0  0  0  0
  6  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 11  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 12  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 14  1  0  0  0  0
 12 13  1  6  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 15  1  0  0  0  0
 14 45  1  1  0  0  0
 15 16  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 17  2  0  0  0  0
 16 48  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
 19 20  1  0  0  0  0
 19 51  1  0  0  0  0
 19 52  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-08, 3873👍, 0💬