Molecule FYI-1001450

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Molecule Summary:

ID: FYI-1001450
SMILES: O=C(C1=C(OC(C)=O)C=CC=C1)[Se]CC=C

Received at FYIcenter.com on: 2022-07-28

Molecule ID: FYI-1001450 Edit

Molecule Structure SMILES String: O=C(C1=C(OC(C)=O)C=CC=C1)[Se]CC=C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001450
FYIcenter.com

 28 28  0  0  0  0  0  0  0  0999 V2000
   -0.0022   -1.2399    0.6396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1008   -0.0740    0.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1051    0.7495    0.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3747    0.1921    0.3872 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4940   -1.1112    0.7450 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5487   -2.0137   -0.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5622   -3.4863    0.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5871   -1.6448   -1.3983 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5057    0.9799    0.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3829    2.3063   -0.1262 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1322    2.8614   -0.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9969    2.0940   -0.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8693    0.7085    0.0015 Se  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0284   -0.8341    0.3456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4682   -0.4342    0.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2276   -1.1056   -0.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5224   -3.6238    1.1520 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6978   -3.9658   -0.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4761   -3.9344   -0.3184 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4844    0.5557    0.4071 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2676    2.9153   -0.2403 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0476    3.8999   -0.6301 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0244    2.5309   -0.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7776   -1.6384   -0.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8824   -1.1769    1.3699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8739    0.4059    0.6941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8218   -1.9457   -1.2238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2594   -0.8190   -0.8199 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  4  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  3 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001450-3D
FYIcenter.com

 28 28  0  0  0  0  0  0  0  0999 V2000
    1.5341    0.4475    0.4590 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6974    0.1972    0.7146 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2986   -1.1247    0.3394 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7336   -2.0698   -0.5903 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5987   -1.9415   -1.3346 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0173   -0.9014   -1.9797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2516   -1.1718   -2.7333 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5426    0.1994   -2.0418 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3879   -3.3014   -0.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5613   -3.6219   -0.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1162   -2.7167    0.7780 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4973   -1.4883    0.9999 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6604    1.5167    1.7743 Se  0  0  0  0  0  0  0  0  0  0  0  0
    4.8637    2.0496    0.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8430    3.0821    0.8113 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7591    3.6158   -0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0465   -1.9227   -3.5274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6461   -0.2510   -3.2122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0243   -1.5845   -2.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9747   -4.0228   -1.4781 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0390   -4.5781   -0.2816 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0227   -2.9712    1.3101 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9682   -0.8374    1.7217 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2658    2.4891   -0.5057 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4365    1.1666   -0.0371 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8157    3.4088    1.8464 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8228    3.3211   -1.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4552    4.3604    0.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  9 10  2  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  2  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  2  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-08-27, 447👍, 0💬