Molecule FYI-1003547

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A

Molecule Summary:

ID: FYI-1003547
Names:
InChIKey: UWKAYLJWKGQEPM-UHFFFAOYSA-N
SMILES: C=CC(C)(CC/C=C(C)/C)OC(C)=O

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

Molecule ID: FYI-1003547 Edit

Molecule Structure InChIKey: UWKAYLJWKGQEPM-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1003547
FYIcenter.com

 14 13  0  0  0  0  0  0  0  0999 V2000
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    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    0.0000    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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   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
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  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
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003547-3D
FYIcenter.com

 34 33  0     1  0  0  0  0  0999 V2000
    1.6269   -0.8871   -0.0696 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6326    0.2275    0.1976 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0057    0.3339   -0.5078 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4811    0.0069   -0.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2246   -0.6786    0.3632 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7378    0.7269   -1.7969 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1367    1.3272    0.6284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6354   -1.0175   -0.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7346   -0.2537    0.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9453   -0.7836    0.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2931    2.6536    0.5376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1221   -0.6512   -0.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6352    1.1194    0.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4550   -2.1235    0.6855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0076    0.9250   -1.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5253   -0.6660   -1.6568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2071   -0.0677    1.2709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7226   -1.6160    0.6323 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9043   -0.1455   -2.4403 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1406    1.4480   -2.3684 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7095    1.2043   -1.6431 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0466    0.9204    1.6356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7569   -1.9949   -0.4973 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3508    3.2615    1.4341 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3606    3.1565   -0.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5077    0.0414   -1.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7969   -0.6420    0.5587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1409   -1.6584   -0.7323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1393    1.1336    1.6951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6152    1.4808    0.8691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1303    1.8499    0.0732 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3507   -2.8438   -0.1298 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9063   -2.4590    1.5692 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5146   -2.0414    0.9442 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 10  1  0  0  0  0
  2 10  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  8  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 11  2  0  0  0  0
  7 22  1  0  0  0  0
  8  9  2  0  0  0  0
  8 23  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
M  END
$$$$

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2023-07-11, 2891👍, 0💬