Molecule FYI-1007923

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A

Molecule Summary:

ID: FYI-1007923
Names:
InChIKey: SATZAQAJSHXNSJ-UHFFFAOYSA-N
SMILES: CC(c1ccccc1)C2OCCO2

Received at FYIcenter.com on: 2024-03-21

Molecule ID: FYI-1007923 Edit

Molecule Structure InChIKey: SATZAQAJSHXNSJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(c1ccccc1)C2OCCO2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007923
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    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
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7699    5.0229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5047    5.0229    0.0000 O   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
    0.0000    2.1000    0.0000 C   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
    1.2125    0.0000    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
  2  1  1  0  0  0  0
  3  2  1  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
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007923-3D
FYIcenter.com

 27 28  0     1  0  0  0  0  0999 V2000
    1.5043    1.1713   -0.4494 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7872   -0.7644   -0.1021 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4747   -0.7625    0.5698 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4881   -0.2625   -0.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -0.2703    0.2635 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7766    1.5223    0.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6512    0.3566   -0.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5139   -2.2940    0.6775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3549    0.9246    0.8092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7443   -1.0345   -0.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6448    1.3754    0.5288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0341   -0.5835   -0.8305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4845    0.6215   -0.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7476   -0.3832    1.5653 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2425   -0.5982   -1.4564 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6670    1.6124    1.1803 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1234    2.4744   -0.3149 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9499    0.3955   -1.3312 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    0.2632    0.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2944   -2.6758    1.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4557   -2.6180    1.1355 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4549   -2.7869   -0.2989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7089    1.5183    1.4489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4222   -1.9633   -1.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9955    2.3138    0.9486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6863   -1.1674   -1.4735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4882    0.9733   -0.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
 10 12  2  0  0  0  0
 10 24  1  0  0  0  0
 11 13  2  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
$$$$

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2024-04-14, 147👍, 0💬