Molecule FYI-1004874

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Molecule Summary:

ID: FYI-1004874
Names:
InChIKey: GZSBJPHFIMRADN-UHFFFAOYSA-N
SMILES: CCCCc1ccccc1

Received at FYIcenter.com on: 2023-09-25

Molecule ID: FYI-1004874 Edit

Molecule Structure InChIKey: GZSBJPHFIMRADN-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1004874
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  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  2  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004874-3D
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
    0.9664    0.0360   -0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4862   -0.0152   -0.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9903   -1.2611    0.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5199   -1.3467    0.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0426   -2.5841    1.3004 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6728   -3.8621    0.8572 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1688   -5.0053    1.4863 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0510   -4.8826    2.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4315   -3.6191    3.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9297   -2.4738    2.3778 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6151    0.9291   -0.6329 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5751    0.0646    0.9143 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5461   -0.8412   -0.6104 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8803    0.8867    0.3758 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8468   -0.0161   -1.1416 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5544   -2.1472    0.1445 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6326   -1.2538    1.6591 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9336   -0.4488    1.0826 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8906   -1.3487   -0.4269 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9964   -3.9801    0.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8699   -5.9896    1.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4430   -5.7725    3.0425 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1224   -3.5227    3.8355 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2412   -1.4971    2.7388 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  2  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
M  END
$$$$

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2023-10-15, 2542👍, 0💬