Molecule FYI-1013318

A

Molecule Summary:

ID: FYI-1013318
Names:
InChIKey: KWEVUQSRFGJNIF-XFASQDHXSA-N
SMILES: C/C=C\\CC(C)(C)C.C/C=C(C=O)/C(C)(C)C

Received at FYIcenter.com on: 2024-12-10

Molecule ID: FYI-1013318 Edit

Molecule Structure InChIKey: KWEVUQSRFGJNIF-XFASQDHXSA-N

Molecule Structure SMILES String: C/C=C\CC(C)(C)C.C/C=C(C=O)/C(C)(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1013318
FYIcenter.com

 17 15  0  0  0  0  0  0  0  0999 V2000
    5.3622    4.0124    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
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    1.5876    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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    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
    3.6374    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
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    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
    1.2123    0.0000    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  2  1  0  0  0  0
  5  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  5  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  1  0  0  0  0
 10 15  1  0  0  0  0
  9 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013318-3D
FYIcenter.com

 47 45  0  0  0  0  0  0  0  0999 V2000
    0.7130   -1.6588   -1.2222 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1549   -1.2882   -1.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8188   -0.5103   -2.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2744    0.0629   -3.3598 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4112    1.5941   -3.5661 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8823    2.0499   -3.5598 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8108    1.9188   -4.9480 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6381    2.3739   -2.4914 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9032    0.8214    1.4686 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3986    0.6565    1.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1422   -0.3917    1.9024 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4230   -1.4869    2.6426 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9397   -2.5461    2.9717 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6801   -0.5402    1.7134 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3228    0.6518    0.9595 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3773   -0.6298    3.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0476   -1.8021    0.8903 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4325   -2.0143   -0.2233 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5290   -2.4695   -1.9296 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0759   -0.8007   -1.4494 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7069   -1.7169   -0.3885 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8787   -0.3373   -1.9024 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2199   -0.2166   -3.4678 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8045   -0.4484   -4.1739 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4554    1.5504   -4.3489 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3735    1.8427   -2.6035 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9576    3.1305   -3.7327 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3612    1.4036   -5.7447 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8440    2.9925   -5.1594 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7650    1.5962   -5.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0522    2.2045   -1.4923 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5820    2.0832   -2.4745 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6800    3.4531   -2.6829 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5925    1.2496    0.5085 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5873    1.5034    2.2612 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3534   -0.1180    1.5662 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8943    1.4852    0.9743 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3678   -1.2920    2.8873 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2828    1.5719    1.5507 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8344    0.8423   -0.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3781    0.4496    0.7390 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1867    0.2659    3.6831 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4629   -0.7227    2.9606 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0516   -1.4980    3.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8675   -1.6549   -0.1791 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5011   -2.6994    1.1924 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1150   -2.0338    0.9837 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  2  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  2  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 12 38  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-12-18, 660👍, 0💬